dwb2023/gtopdb-target-family-interaction-detail huggingface dataset:
Target family: PDHK family (type: enzyme)
Target: pyruvate dehydrogenase kinase 1

Ligand: VER-246608 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.460000038146973 pIC50
Reference (Journal): VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Published in: Oncotarget

Ligand: AZD7545 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.429999828338623 pIC50
Reference (Journal): AZD7545 is a selective inhibitor of pyruvate dehydrogenase kinase 2
Published in: Biochem Soc Trans
Target family: PDHK family (type: enzyme)
Target: pyruvate dehydrogenase kinase 3

Ligand: VER-246608 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pIC50
Reference (Journal): VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.
Published in: Oncotarget
Target family: PDK1 family (type: enzyme)
Target: 3-phosphoinositide dependent protein kinase 1

Ligand: 7-hydroxystaurosporine (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.480000019073486 pIC50
Reference (Journal): Interference with PDK1-Akt survival signaling pathway by UCN-01 (7-hydroxystaurosporine).
Published in: Oncogene

Ligand: compound 1 [PMID: 20005102] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.300000190734863 pIC50
Reference (Journal): 2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles.
Published in: Bioorg Med Chem Lett

Ligand: BX-912 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.590000152587891 pIC50
Reference (Journal): Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
Published in: J Biol Chem

Ligand: BX-795 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.960000038146973 pIC50
Reference (Journal): Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
Published in: J Biol Chem

Ligand: PHT-427 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 5.28000020980835 pKi
Reference (Journal): Molecular pharmacology and antitumor activity of PHT-427, a novel Akt/phosphatidylinositide-dependent protein kinase 1 pleckstrin homology domain inhibitor.
Published in: Mol Cancer Ther

Ligand: OSU-03012 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.050000190734863 pIC50
Reference (Journal): From the cyclooxygenase-2 inhibitor celecoxib to a novel class of 3-phosphoinositide-dependent protein kinase-1 inhibitors.
Published in: Cancer Res

Ligand: GSK2334470 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.600000381469727 pIC50
Reference (Journal): Structure-based design of potent and selective 3-phosphoinositide-dependent kinase-1 (PDK1) inhibitors.
Published in: J Med Chem
Target family: PEK subfamily (type: enzyme)
Target: eukaryotic translation initiation factor 2 alpha kinase 3

Ligand: GSK2656157 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.100000381469727 pIC50
Reference (Journal): Discovery of GSK2656157: An Optimized PERK Inhibitor Selected for Preclinical Development.
Published in: ACS Med Chem Lett

Ligand: GSK2606414 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.399999618530273 pIC50
Reference (Journal): Discovery of 7-methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a potent and selective first-in-class inhibitor of protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK).
Published in: J Med Chem

Ligand: HC-5404 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.399999618530273 pIC50
Reference (Journal): Discovery of 2-amino-3-amido-5-aryl-pyridines as highly potent, orally bioavailable, and efficacious PERK kinase inhibitors.
Published in: Bioorg Med Chem Lett
Target family: Peptidases and proteinases (<i>Plasmodium</i> spp.) (type: other_protein)
Target: Plasmodium falciparum proteasome subunit beta type-5

Ligand: bortezomib (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: yes
Approval source: FDA (2003), EMA (2004)
Primary target: no
Median affinity: 7.429999828338623 pIC50
Reference (Journal): Antimalarial activity of the anticancer and proteasome inhibitor bortezomib and its analog ZL3B.
Published in: BMC Clin Pharmacol
Target family: Peptidases and proteinases (<i>Plasmodium</i> spp.) (type: other_protein)
Target: Plasmodium falciparum plasmepsin V

Ligand: WEHI-842 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 7.400000095367432 pEC50
Reference (Journal): Inhibition of Plasmepsin V Activity Blocks Plasmodium falciparum Gametocytogenesis and Transmission to Mosquitoes.
Published in: Cell Rep

Ligand: WEHI-842 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Inhibition of Plasmepsin V Activity Blocks Plasmodium falciparum Gametocytogenesis and Transmission to Mosquitoes.
Published in: Cell Rep

Ligand: WEHI-842 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 6.400000095367432 pEC50
Reference (Journal): Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Published in: Nat Struct Mol Biol

Ligand: WEHI-842 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.699999809265137 pIC50
Reference (Journal): Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Published in: Nat Struct Mol Biol
Target family: Peptidases and proteinases (<i>Plasmodium</i> spp.) (type: other_protein)
Target: Plasmodium falciparum plasmepsin X

Ligand: compound 14a [WO2021155612A1] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 9.699999809265137 pEC50
Reference (Patent): Antimalarial agents

Ligand: compound 49c [PMID: 29074775] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 6.300000190734863 pIC50
Reference (Journal): Novel in vivo active anti-malarials based on a hydroxy-ethyl-amine scaffold.
Published in: Bioorg Med Chem Lett

Ligand: compound 49c [PMID: 29074775] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 9.220000267028809 pIC50
Reference (Journal): Novel in vivo active anti-malarials based on a hydroxy-ethyl-amine scaffold.
Published in: Bioorg Med Chem Lett

Ligand: WM382 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 9.739999771118164 pEC50
Reference (Journal): Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.
Published in: Cell Host Microbe

Ligand: WM382 (Synthetic organic)
Interaction type: None
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 10.460000038146973 pKi
Reference (Journal): Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.
Published in: Cell Host Microbe

Ligand: WM382 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 9.1899995803833 pEC50
Reference (Journal): Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.
Published in: Cell Host Microbe

Ligand: WM382 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 9.59000015258789 pEC50
Reference (Journal): Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.
Published in: Cell Host Microbe

Ligand: WM382 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 9.220000267028809 pEC50
Reference (Journal): Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.
Published in: Cell Host Microbe

Ligand: WM382 (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity:  -
Reference (Journal): Dual Plasmepsin-Targeting Antimalarial Agents Disrupt Multiple Stages of the Malaria Parasite Life Cycle.
Published in: Cell Host Microbe
Target family: Peptidases and proteinases (<i>Plasmodium</i> spp.) (type: other_protein)
Target: Plasmodium falciparum proteasome subunit beta type-5

Ligand: analog 18 [PMID: 28696697] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 6.889999866485596 pIC50
Reference (Journal): Development of a Potent Inhibitor of the Plasmodium Proteasome with Reduced Mammalian Toxicity.
Published in: J Med Chem

Ligand: analog 18 [PMID: 28696697] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 8.489999771118164 pIC50
Reference (Journal): Development of a Potent Inhibitor of the Plasmodium Proteasome with Reduced Mammalian Toxicity.
Published in: J Med Chem

Ligand: bortezomib (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2003), EMA (2004)
Primary target: no
Median affinity: 7.28000020980835 pIC50
Reference (Journal): Target Validation and Identification of Novel Boronate Inhibitors of the Plasmodium falciparum Proteasome.
Published in: J Med Chem

Ligand: bortezomib (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: yes
Approval source: FDA (2003), EMA (2004)
Primary target: no
Median affinity: 7.510000228881836 pIC50
Reference (Journal): Antimalarial activity of the anticancer and proteasome inhibitor bortezomib and its analog ZL3B.
Published in: BMC Clin Pharmacol

Ligand: bortezomib (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: yes
Approval source: FDA (2003), EMA (2004)
Primary target: no
Median affinity: 7.369999885559082 pIC50
Reference (Journal): Antimalarial activity of the anticancer and proteasome inhibitor bortezomib and its analog ZL3B.
Published in: BMC Clin Pharmacol

Ligand: bortezomib (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: yes
Approval source: FDA (2003), EMA (2004)
Primary target: no
Median affinity: 7.510000228881836 pIC50
Reference (Journal): Antimalarial activity of the anticancer and proteasome inhibitor bortezomib and its analog ZL3B.
Published in: BMC Clin Pharmacol

Ligand: WLL-vs (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 8.220000267028809 pEC50
Reference (Journal): Defining the Determinants of Specificity of Plasmodium Proteasome Inhibitors.
Published in: J Am Chem Soc

Ligand: WLL-vs (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.099999904632568 pIC50
Reference (Journal): Structure- and function-based design of Plasmodium-selective proteasome inhibitors.
Published in: Nature
Target family: Peptidases and proteinases (<i>Plasmodium</i> spp.) (type: other_protein)
Target: Plasmodium falciparum subtilisin-like protease 1

Ligand: compound 3j [PMID: 33975947] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 8.239999771118164 pIC50
Reference (Journal): Peptidic boronic acids are potent cell-permeable inhibitors of the malaria parasite egress serine protease SUB1.
Published in: Proc Natl Acad Sci U S A

Ligand: compound 3j [PMID: 33975947] (Synthetic organic)
Interaction type: None
Action: None
Ligand approved: no
Primary target: no
Median affinity: 6.590000152587891 pEC50
Reference (Journal): Peptidic boronic acids are potent cell-permeable inhibitors of the malaria parasite egress serine protease SUB1.
Published in: Proc Natl Acad Sci U S A
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 5

Ligand: compound 19b [PMID: 37058391] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.71999979019165 pKi
Reference (Journal): Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
Published in: J Med Chem
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 8

Ligand: GPI-1046 (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 7.320000171661377 pKi
Reference (Journal): The specific FKBP38 inhibitor N-(N',N'-dimethylcarboxamidomethyl)cycloheximide has potent neuroprotective and neurotrophic properties in brain ischemia.
Published in: J Biol Chem
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: peptidylprolyl cis/trans isomerase, NIMA-interacting 1

Ligand: AG-122018 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.920000076293945 pKi
Reference (Journal): Structure-based design of novel human Pin1 inhibitors (III): optimizing affinity beyond the phosphate recognition pocket.
Published in: Bioorg Med Chem Lett

Ligand: AG-17724 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.099999904632568 pKi
Reference (Journal): Structure-based design of novel human Pin1 inhibitors (III): optimizing affinity beyond the phosphate recognition pocket.
Published in: Bioorg Med Chem Lett

Ligand: BJP-06-005-3 (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.820000171661377 pKi
Reference (Journal): Identification of a potent and selective covalent Pin1 inhibitor.
Published in: Nat Chem Biol

Ligand: compound 20 [PMID: 25091930] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.710000038146973 pKi
Reference (Journal): Structure-based design of novel human Pin1 inhibitors (III): optimizing affinity beyond the phosphate recognition pocket.
Published in: Bioorg Med Chem Lett

Ligand: sulfopin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.769999980926514 pKi
Reference (Journal): Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Published in: Nat Chem Biol

Ligand: sulfopin (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.679999828338623 pKi
Reference (Journal): Sulfopin is a covalent inhibitor of Pin1 that blocks Myc-driven tumors in vivo.
Published in: Nat Chem Biol
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: peptidylprolyl isomerase A

Ligand: CRV431 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.600000381469727 pIC50
Reference (Journal): A Pan-Cyclophilin Inhibitor, CRV431, Decreases Fibrosis and Tumor Development in Chronic Liver Disease Models.
Published in: J Pharmacol Exp Ther

Ligand: CRV431 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.890000343322754 pKi
Reference (Journal): A Pan-Cyclophilin Inhibitor, CRV431, Decreases Fibrosis and Tumor Development in Chronic Liver Disease Models.
Published in: J Pharmacol Exp Ther

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 7.760000228881836 pKi
Reference (Journal): A Pan-Cyclophilin Inhibitor, CRV431, Decreases Fibrosis and Tumor Development in Chronic Liver Disease Models.
Published in: J Pharmacol Exp Ther

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: yes
Median affinity: 8.300000190734863 pIC50
Reference (Journal): Calcineurin phosphatase activity in T lymphocytes is inhibited by FK 506 and cyclosporin A.
Published in: Proc Natl Acad Sci USA

Ligand: Sanglifehrin A (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9 pIC50
Reference (Journal): Synthesis of derivatives of the novel cyclophilin-binding immunosuppressant sanglifehrin A with reduced numbers of polar functions.
Published in: Bioorg Med Chem Lett

Ligand: Sanglifehrin A (Natural product)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.479999542236328 pKd
Reference (Journal): Discovery of a Potent and Orally Bioavailable Cyclophilin Inhibitor Derived from the Sanglifehrin Macrocycle.
Published in: J Med Chem

Ligand: voclosporin (Peptide)
Interaction type: Inhibitor
Action: Binding
Ligand approved: yes
Approval source: FDA (2021), EMA (2022)
Primary target: yes
Median affinity: 7.820000171661377 pKd
Reference (Journal): Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin).
Published in: Acta Crystallogr D Biol Crystallogr
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: peptidylprolyl isomerase D

Ligand: CRV431 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.550000190734863 pIC50
Reference (Journal): A Pan-Cyclophilin Inhibitor, CRV431, Decreases Fibrosis and Tumor Development in Chronic Liver Disease Models.
Published in: J Pharmacol Exp Ther
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 5

Ligand: SLF (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 5.199999809265137 pIC50
Reference (Journal): Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52.
Published in: J Med Chem

Ligand: SAFit2 (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 8.220000267028809 pKi
Reference (Journal): Selective inhibitors of the FK506-binding protein 51 by induced fit.
Published in: Nat Chem Biol
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: peptidylprolyl isomerase D

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): A Pan-Cyclophilin Inhibitor, CRV431, Decreases Fibrosis and Tumor Development in Chronic Liver Disease Models.
Published in: J Pharmacol Exp Ther

Ligand: cyclosporin A (Peptide)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA and UK (1983), EMA (2015)
Primary target: no
Median affinity: 8 pIC50
Reference (Journal): Cyclophilin D, Somehow a Master Regulator of Mitochondrial Function.
Published in: Biomolecules
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 8

Ligand: DM-CHX (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 7.070000171661377 pKi
Reference (Journal): The specific FKBP38 inhibitor N-(N',N'-dimethylcarboxamidomethyl)cycloheximide has potent neuroprotective and neurotrophic properties in brain ischemia.
Published in: J Biol Chem
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 5

Ligand: SAFit1 (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 8.399999618530273 pKi
Reference (Journal): Selective inhibitors of the FK506-binding protein 51 by induced fit.
Published in: Nat Chem Biol
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 1A

Ligand: cycloheximide (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 5.46999979019165 pIC50
Reference (Journal): Synthesis and cytotoxic evaluation of cycloheximide derivatives as potential inhibitors of FKBP12 with neuroregenerative properties.
Published in: J Med Chem

Ligand: pimecrolimus (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (2001), EMA (2006)
Primary target: yes
Median affinity: 8.220000267028809 pIC50
Reference (Journal): Ascomycin macrolactam derivative SDZ ASM 981 inhibits the release of granule-associated mediators and of newly synthesized cytokines in RBL 2H3 mast cells in an immunophilin-dependent manner.
Published in: Arch Dermatol Res

Ligand: sirolimus (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1999), EMA (2001)
Primary target: yes
Median affinity: 9.699999809265137 pKi
Reference (Journal): Immunophilins: beyond immunosuppression.
Published in: J Med Chem

Ligand: SLF (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 6.940000057220459 pIC50
Reference (Journal): Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52.
Published in: J Med Chem

Ligand: tacrolimus (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: yes
Approval source: FDA (1994), EMA (2002)
Primary target: yes
Median affinity: 9.399999618530273 pKi
Reference (Journal): Immunophilins: beyond immunosuppression.
Published in: J Med Chem

Ligand: zotarolimus (Synthetic organic)
Interaction type: Inhibitor
Action: Binding
Ligand approved: no
Primary target: yes
Median affinity: 8.550000190734863 pIC50
Reference (Journal): Zotarolimus-eluting stents reduce experimental coronary artery neointimal hyperplasia after 4 weeks.
Published in: Eur Heart J
Target family: Peptidyl-prolyl cis/trans isomerases (type: enzyme)
Target: FKBP prolyl isomerase 4

Ligand: compound 19b [PMID: 37058391] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.110000133514404 pKi
Reference (Journal): Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
Published in: J Med Chem

Ligand: SLF (Synthetic organic)
Interaction type: Inhibitor
Action: None
Ligand approved: no
Primary target: no
Median affinity: 5.03000020980835 pIC50
Reference (Journal): Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52.
Published in: J Med Chem