ailab-bio/TACK huggingface dataset:
Compound (SMILES): CCn1c(C)c(C(=O)N2CCN(C)CC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([As])c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  6 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CCN(C)CC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(Cl)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  8 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CCOCC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  3 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CC[C@@H](NC(C)=O)C2)c(Cc2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  26 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CC[C@@H](OC)C2)c(Cc2ccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)cc2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  51 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CC[C@H](NC(C)=O)C2)c(C2C=C(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)C=C(F)C2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  5 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CC[C@H](O)C2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1-c1ccccc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  11 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2CC[C@H](O)C2)c(Cc2ccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)cc2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  52 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N2C[C@H](O)C[C@@H](O)C2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  7 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)NC2CCOCC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NCCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)c([S+]([O-])C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  1.9 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)NCC2COCCO2)c(Cc2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  3 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)NCCC2CCOCC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)C7CCC(c8scnc8C)CC7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  3.5 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)NCCCCN2CCOCC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  32 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)NCCN(C)C)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c(S(N)(=O)=O)c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  4 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(C(=O)N[C@@H](C)C2CCOCC2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c(S(=O)(=O)C(F)(F)F)c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  4 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(S(=O)(=O)N2CC3COCC3C2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@@H](CCN6CCN(CC(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)C)CC6)CSc6ccccc6)c(N)c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  28 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb
Compound (SMILES): CCn1c(C)c(S(=O)(=O)N2CCC(S(C)(=O)=O)C2)c(-c2cc(F)cc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(NC(CCN6CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)c7ccc(-c8scnc8C)cc7)C(C)(C)C)CC6)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c1-c1ccc(F)cc1
Modality: PROteolysis-TArgeting Chimera (PROTAC)
Target protein (POI): BCL2L1 (UniProt Q07817)
POI sequence: MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
E3 ligase: VHL (UniProt P40337)
Ligase sequence: MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Cell line: MDA-MB-231 (Homo sapiens)
Cell line description: African=1.95%; Native American=0%; East Asian, North=2.44%; East Asian, South=0%; South Asian=7.42%; European, North=28.16%; European, South=60.03%.
Gene deletion; HGNC; HGNC Gene deletion; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC Mutation; HGNC; HGNC
A*02/28; B*07,08; C*w02,w06. A*02 A*02 A*02
Stable (MSS).
Metastatic; Pleural effusion; 
Caucasian.
Triple negative breast cancer (TNBC) cell line.
Cancer cell line
Assay: Western Blot
DC50:  2 nM
Assay description: Cells were collected and lysed in a lysis buffer (Cat. No. BP-115DG, Boston Bio Products, Ashland, MA, USA) containing protease and phosphatase inhibitor cocktails (Cat. No. PPC1010, Sigma-Aldrich, St. Louis, MO, USA) . An equal amount of protein lysates was separated on precasted 4-20%Tris-glycine gels (Mini-PROTEAN TGX, Cat. No. 456-1094, Bio-Rad, Hercules, CA, USA) . Thereafter, the proteins were transferred to PVDF membranes (Cat. No. LC2002, MilliporeSigma, Billerica, MA, USA) . The membranes were blocked with 5%w/v nonfat dry milk in TBS + Tween-20 (0.1%v/v) and then probed with primary antibodies overnight at 4 °C. Next day, the membranes were washed and incubated with appropriate horseradish peroxidase (HRP) -conjugated secondary antibodies. Primary antibodies against BCL-XL (Cat. No. 2762) and βactin (Cat. No. 4970) and the secondary HRP-linked antibody (Cat. No. 7074) were purchased from Cell Signaling Technology (Danvers, MA, USA) . The signal was detected using the ECL substrate (Cat. No. WBKLS0500, MilliporeSigma, Billerica, MA, USA) and captured on the ChemiDoc MP Imaging System (Bio-Rad, Hercules, CA, USA) . The band intensities were calculated on the ImageJ software and normalized to equal loading control β-actin.
Reference: BCL-2/BCL-XL PROTEIN DEGRADER AND USE THEREOF (patent)
Source database: TPDdb