cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pv6p57
title: BindingDB Entry 50004331: Scaffold-based design and synthesis of potent N-type calcium channel blockers.

description: Small molecule binding data for protein Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1, Uniprot P54283, P54290, and Q02294
DOI: 10.7270/q2ff3w6q
title: BindingDB Entry 50004333: Lipophilic 2,5-disubstituted pyrroles from the marine sponge Mycale sp. inhibit mitochondrial respiration and HIF-1 activation.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2k35xg8
title: BindingDB Entry 50004332: Stereoselective behavior of the functional diltiazem analogue 1-[(4-chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine, a new L-type calcium channel blocker.

description: Small molecule binding data for protein Voltage-dependent L-type calcium channel subunit alpha-1S, Uniprot Q02485
DOI: 10.7270/q29p34ht
title: BindingDB Entry 50004335: NSAID-derived gamma-secretase modulators. Part III: Membrane anchoring.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2251n1n
title: BindingDB Entry 50004337: Multivalent binding oligomers inhibit HIV Tat-TAR interaction critical for viral replication.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 Tat protein, Uniprot P04608
DOI: 10.7270/q25x2cs3
title: BindingDB Entry 50004336: Design, synthesis, and characterization of peptide-based rab geranylgeranyl transferase inhibitors.

description: Small molecule binding data for protein geranylgeranyltransferase type-I, Uniprot P53610
DOI: 10.7270/q2xd14hw
title: BindingDB Entry 50004339: Antiproliferative activity of novel benzo[b][1,6]naphthyridines in human solid tumor cell lines.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q2nv9n3r
title: BindingDB Entry 50004341: Effect of 3'-end capping of aptamer with various 2',4'-bridged nucleotides: Enzymatic post-modification toward a practical use of polyclonal aptamers.

description: Small molecule binding data for protein Thrombin and coagulation factor X, Uniprot P00734
DOI: 10.7270/q2sn0cs5
title: BindingDB Entry 50004340: Discovery and initial SAR of pyrimidin-4-yl-1H-imidazole derivatives with antiproliferative activity against melanoma cell lines.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q2j67kr6
title: BindingDB Entry 50004343: Synthesis and evaluation of 2-pyridylbenzothiazole, 2-pyridylbenzoxazole and 2-pyridylbenzofuran derivatives as 11C-PET imaging agents for beta-amyloid plaques.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q28p63cf
title: BindingDB Entry 50004345: SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO), Uniprot A7J8L2 and P0C6X7
DOI: 10.7270/q2df6v2b
title: BindingDB Entry 50004344: SelSA, selenium analogs of SAHA as potent histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q24x5bm8
title: BindingDB Entry 50004346: Synthesis and anti-HIV-1 integrase activity of modified dinucleotides.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2154kvd
title: BindingDB Entry 50004347: Membrane permeable cyclic peptidyl inhibitors against human Peptidylprolyl Isomerase Pin1.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2wd43ch
title: BindingDB Entry 50004348: Development of novel, highly potent inhibitors of V-RAF murine sarcoma viral oncogene homologue B1 (BRAF): increasing cellular potency through optimization of a distal heteroaromatic group.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q2rn3bp7
title: BindingDB Entry 50004349: Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious gamma-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2cf9sxj
title: BindingDB Entry 50004353: The alternative medicine pawpaw and its acetogenin constituents suppress tumor angiogenesis via the HIF-1/VEGF pathway.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2h70jnt
title: BindingDB Entry 50004351: Synthesis, molecular modeling and biological evaluation of PSB as targeted antibiotics.

description: Small molecule binding data for protein Beta-ketoacyl-ACP synthase III (FabH), Uniprot C3TDZ2
DOI: 10.7270/q2n019b3
title: BindingDB Entry 50004350: Purine derivatives as potent gamma-secretase modulators.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q27p926m
title: BindingDB Entry 50004354: QSAR study of flavonoids and biflavonoids as influenza H1N1 virus neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03468
DOI: 10.7270/q23x89ff
title: BindingDB Entry 50004355: Synthesis and biological evaluation of novel 2-arylalkylthio-4-amino-6-benzyl pyrimidines as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2057jq1
title: BindingDB Entry 50004356: Synthesis and biological evaluation of novel C5 halogen-functionalized S-DABO as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2vd728k
title: BindingDB Entry 50004357: Pyrazolylthiazole as DeltaF508-cystic fibrosis transmembrane conductance regulator correctors with improved hydrophilicity compared to bithiazoles.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot A0A024R730 and P13569
DOI: 10.7270/q2qr50z5
title: BindingDB Entry 50004358: Anti-microtubule 'plinabulin' chemical probe KPU-244-B3 labeled both alpha- and beta-tubulin.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2m04892
title: BindingDB Entry 50004359: Discovery of GS-9131: Design, synthesis and optimization of amidate prodrugs of the novel nucleoside phosphonate HIV reverse transcriptase (RT) inhibitor GS-9148.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2g73hkb
title: BindingDB Entry 50004360: Functionalized pyrazoles and pyrazolo[3,4-d]pyridazinones: Synthesis and evaluation of their phosphodiesterase 4 inhibitory activity.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot A0A140VJR0, P27815, Q07343, Q08493, Q08499, and X5DNX5
DOI: 10.7270/q2bg2rt5
title: BindingDB Entry 50004361: Peptide HIV-1 integrase inhibitors from HIV-1 gene products.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353 and Q9WKE8
DOI: 10.7270/q22z18b2
title: BindingDB Entry 50004363: Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious gamma-secretase inhibitors (Part II).

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q26q212s
title: BindingDB Entry 50004362: In silico characterization of cytisinoids docked into an acetylcholine binding protein.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2z60rw4
title: BindingDB Entry 50004364: Novel benzimidazole-pyrimidine conjugates as potent antitumor agents.

description: Small molecule binding data for protein Matrix metalloproteinase 11, Uniprot Q02853 and Q3UQT3
DOI: 10.7270/q2th8qhp
title: BindingDB Entry 50004365: An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB.

description: Small molecule binding data for protein von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A, Uniprot D0VY79 and Q16665
DOI: 10.7270/q2k0773s
title: BindingDB Entry 50004367: Pharmacophore and structure-activity relationships of integrase inhibition within a dual inhibitor scaffold of HIV reverse transcriptase and integrase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2pr7ztd
title: BindingDB Entry 50004366: New aryldithiolethione derivatives as potent histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q29g5qmw
title: BindingDB Entry 50004369: Click chemistry to probe Hsp90: Synthesis and evaluation of a series of triazole-containing novobiocin analogues.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot A0A024RD80, K9JA46, P07900, and P08238
DOI: 10.7270/q2f76gc2
title: BindingDB Entry 50004368: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors.

description: Small molecule binding data for protein Acetyl-CoA carboxylase, Uniprot O00763 and Q13085
DOI: 10.7270/q25q4zxm
title: BindingDB Entry 50004370: Chemoselective regulation of TREK2 channel: activation by sulfonate chalcones and inhibition by sulfonamide chalcones.

description: Small molecule binding data for protein Potassium channel subfamily K member 10, Uniprot Q9JIS4
DOI: 10.7270/q21z478k
title: BindingDB Entry 50004371: Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2sj1pfr
title: BindingDB Entry 50004373: Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2x92f3k
title: BindingDB Entry 50004372: Interaction of aminoadamantane derivatives with the influenza A virus M2 channel-docking using a pore blocking model.

description: Small molecule binding data for protein Matrix protein 2, Uniprot P05778
DOI: 10.7270/q2ns0xq1
title: BindingDB Entry 50004375: [d4U]-spacer-[HI-236] double-drug inhibitors of HIV-1 reverse-transcriptase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2d79f67
title: BindingDB Entry 50004377: Synthesis and anti-HIV activity of 2-naphthyl substituted DAPY analogues as non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2j105zj
title: BindingDB Entry 50004376: Improved P2 phenylglycine-based hepatitis C virus NS3 protease inhibitors with alkenylic prime-side substituents.

description: Small molecule binding data for protein NS3 Protease and Protease NS3/Non-structural protein 4A (NS3/NS4A), Uniprot A0A0A7AS71,Q91RS4,A0A0A7ARQ1 and Q0ZMF1
DOI: 10.7270/q28g8phz
title: BindingDB Entry 50004378: New 2-arylnaphthalenediols and triol inhibitors of HIV-1 integrase--discovery of a new polyhydroxylated antiviral agent.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2125wgj
title: BindingDB Entry 50004380: CoMFA and CoMSIA 3D-QSAR studies on quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q24q7xtp
title: BindingDB Entry 50004379: Antimalarials from nature.

description: Small molecule binding data for protein Enoyl-acyl-carrier protein reductase, Uniprot Q965D5
DOI: 10.7270/q2w95d13
title: BindingDB Entry 50004381: Synthesis, antiproliferative activity and inhibition of tubulin polymerization by 1,5- and 1,8-disubstituted 10H-anthracen-9-ones bearing a 10-benzylidene or 10-(2-oxo-2-phenylethylidene) moiety.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2rj4n9c
title: BindingDB Entry 50004382: Deoxynojirimycin and its hexosaminyl derivatives bind to natural killer cell receptors rNKR-P1A and hCD69.

description: Small molecule binding data for protein Early activation antigen CD69 and Killer cell lectin-like receptor subfamily B member 1A, Uniprot B7TYL0, P27471, Q07108, and Q53ZX0
DOI: 10.7270/q2ms3wkn
title: BindingDB Entry 50004384: Cyclic amide bioisosterism: strategic application to the design and synthesis of HCV NS5B polymerase inhibitors.

description: Small molecule binding data for protein RNA-directed RNA polymerase, Uniprot O39930
DOI: 10.7270/q2h134t5
title: BindingDB Entry 50004385: Derivatives of tetrahydroisoquinoline: synthesis and initial evaluation of novel non-peptide antagonists of the alpha(IIb)beta(3)-integrin.

description: Small molecule binding data for protein Integrin alpha-3/beta-3, Uniprot A0A140VJM0, P05106, and P26006
DOI: 10.7270/q27m0br0
title: BindingDB Entry 50004387: Refinement of the pharmacophore of 3,4-dihydroquinazoline-2(1H)-thiones for their anti-melanogenesis activity.

description: Small molecule binding data for protein Tyrosinase, Uniprot P11344 and Q91XK0
DOI: 10.7270/q2c82d49
title: BindingDB Entry 50004386: Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum.

description: Small molecule binding data for protein Enoyl-acyl-carrier protein reductase, Uniprot Q965D5
DOI: 10.7270/q23t9m2k
title: BindingDB Entry 50004388: High-content single-cell drug screening with phosphospecific flow cytometry.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2028vd2
title: BindingDB Entry 50004389: Small-molecule aggregates inhibit amyloid polymerization.

description: Small molecule binding data for protein Eukaryotic peptide chain release factor GTP-binding subunit, Uniprot P05453
DOI: 10.7270/q2v98bxr
title: BindingDB Entry 50004390: Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2ks6vcc
title: BindingDB Entry 50004392: Molecular and biochemical characterization of the natural chromosome-encoded class A beta-lactamase from Pseudomonas luteola.

description: Small molecule binding data for protein Beta-lactamase, Uniprot Q670S6
DOI: 10.7270/q2qj7m4j
title: BindingDB Entry 50004391: Chemical genomics in Escherichia coli identifies an inhibitor of bacterial lipoprotein targeting.

description: Small molecule binding data for protein Outer-membrane lipoprotein carrier protein, Uniprot P61316
DOI: 10.7270/q2g163ps
title: BindingDB Entry 50004393: BEL-2, an extended-spectrum beta-lactamase with increased activity toward expanded-spectrum cephalosporins in Pseudomonas aeruginosa.

description: Small molecule binding data for protein Beta-lactamase, Uniprot D2SSQ3 and Q3SAW3
DOI: 10.7270/q2bc42bb
title: BindingDB Entry 50004395: A novel class of meso-tetrakis-porphyrin derivatives exhibits potent activities against hepatitis C virus genotype 1b replicons in vitro.

description: Small molecule binding data for protein Cytochrome c, Uniprot G4XXL9 and P99999
DOI: 10.7270/q26m39n2
title: BindingDB Entry 50004396: Design and synthesis of C-2 substituted thiazolo and dihydrothiazolo ring-fused 2-pyridones: pilicides with increased antivirulence activity.

description: Small molecule binding data for protein Chaperone protein PapD, Uniprot P15319 and Q7ATU9
DOI: 10.7270/q22v2jzs
title: BindingDB Entry 50004397: Novel hinge binder improves activity and pharmacokinetic properties of BRAF inhibitors.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q2tb19q1
title: BindingDB Entry 50004399: Natural and semisynthetic azaphilones as a new scaffold for Hsp90 inhibitors.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot A0A024RD80, K9JA46, P07900, and P08238
DOI: 10.7270/q2z322g6
title: BindingDB Entry 50004398: New chloro,fluorobenzylindole derivatives as integrase strand-transfer inhibitors (INSTIs) and their mode of action.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2pk0jzv
title: BindingDB Entry 50004400: Identification of a specific inhibitor of the histone methyltransferase SU(VAR)3-9.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase E(z), Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase Su(var)3-9, Histone-lysine N-methyltransferase pr-set7, and Histone-lysine N-methyltransferase, H3 lysine-9 specific dim-5, Uniprot P42124, P45975, Q8X225, Q9VFK6,A0A0B4K680, and Q9Z148
DOI: 10.7270/q2f47rzb
title: BindingDB Entry 50004402: Functional characterization of IRESes by an inhibitor of the RNA helicase eIF4A.

description: Small molecule binding data for protein Eukaryotic initiation factor 4A-I, Uniprot P60842
DOI: 10.7270/q2js9t8f
title: BindingDB Entry 50004401: Allosteric control of an ionotropic glutamate receptor with an optical switch.

description: Small molecule binding data for protein Glutamate receptor ionotropic, kainate 2, Uniprot Q13002
DOI: 10.7270/q29c718v
title: BindingDB Entry 50004403: Histone deacetylase inhibitors reverse gene silencing in Friedreich's ataxia.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q21v5hsz
title: BindingDB Entry 50004405: A domino effect in antifolate drug action in Escherichia coli.

description: Small molecule binding data for protein Dihydrofolate synthase/folylpolyglutamate synthase, Uniprot P08192
DOI: 10.7270/q25m68j4
title: BindingDB Entry 50004404: Extension of Drosophila melanogaster life span with a GPCR peptide inhibitor.

description: Small molecule binding data for protein G-protein coupled receptor Mth, Uniprot O97148,E1JHX3
DOI: 10.7270/q2x3518x
title: BindingDB Entry 50004406: Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor.

description: Small molecule binding data for protein General amino-acid permease GAP1, Uniprot P19145
DOI: 10.7270/q2nk3hvx
title: BindingDB Entry 50004408: Novel Notch-sparing gamma-secretase inhibitors derived from a peroxisome proliferator-activated receptor agonist library.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2hx1ghg
title: BindingDB Entry 50004409: Discovery of achiral inhibitors of the hepatitis C virus NS3 protease based on 2(1H)-pyrazinones.

description: Small molecule binding data for protein NS3 Protease and Protease NS3/Non-structural protein 4A (NS3/NS4A), Uniprot A0A0A7AS71,Q91RS4,A0A0A7ARQ1 and Q0ZMF1
DOI: 10.7270/q2d50qth
title: BindingDB Entry 50004410: Development of 2-pyrrolidinyl-N-methyl pyrimidones as potent and orally bioavailable HIV integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q28d003k
title: BindingDB Entry 50004411: Antiviral agents 2. Synthesis of trimeric naphthoquinone analogues of conocurvone and their antiviral evaluation against HIV.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q24m97c9
title: BindingDB Entry 50004412: Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor, Uniprot Q05586 and Q13224
DOI: 10.7270/q20v8gm4
title: BindingDB Entry 50004413: 1,2,3-triazole analogs of combretastatin A-4 as potential microtubule-binding agents.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2rb77f8
title: BindingDB Entry 50004415: Iminoheterocycles as gamma-secretase modulators.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2w3804j
title: BindingDB Entry 50004414: Synthesis of polyhydroxylated aromatics having amidation of piperazine nitrogen as HIV-1 integrase inhibitor.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2mp563t
title: BindingDB Entry 50004416: Conformational cross-talk between alpha2A-adrenergic and mu-opioid receptors controls cell signaling.

description: Small molecule binding data for protein Mu opioid receptor/Alpha-2A adrenergic receptor, Uniprot P08913 and P35372
DOI: 10.7270/q2c53pp4
title: BindingDB Entry 50004418: Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents.

description: Small molecule binding data for protein Integrase, Protease, and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353, Q9WKE8, and Q9YQ12
DOI: 10.7270/q2gx4fdj
title: BindingDB Entry 50004417: TMC278, a next-generation nonnucleoside reverse transcriptase inhibitor (NNRTI), active against wild-type and NNRTI-resistant HIV-1.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q27d2xzd
title: BindingDB Entry 50004419: Homology modeling and atomic level binding study of GABA(A) receptor with novel enaminone amides.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, Uniprot P18508, P62813, and P63138
DOI: 10.7270/q23n2661
title: BindingDB Entry 50004420: Peptidic HIV integrase inhibitors derived from HIV gene products: structure-activity relationship studies.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2zw1pqb
title: BindingDB Entry 50004421: Mechanistic insights into a Ca2+-dependent family of alpha-mannosidases in a human gut symbiont.

description: Small molecule binding data for protein GH92 alpha-mannosidase, Uniprot Q8A0C8, Q8A0C9, Q8A0E8, Q8A0M7, Q8A0N0, Q8A0N1, Q8A0Q6, Q8A0Q8, Q8A0Q9, Q8A113, Q8A182, Q8A193, Q8A1X8, Q8A1Y1, Q8A325, Q8A3K6, Q8A4H0, Q8A5N9, Q8A5X5, Q8A5Y1, Q8A6K3, Q8A6V7, and Q8A8Y5
DOI: 10.7270/q2v40z1s
title: BindingDB Entry 50004422: Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q2qf8wpc
title: BindingDB Entry 50004423: Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot A0A024RD80, K9JA46, P07900, and P08238
DOI: 10.7270/q2fx7d9m
title: BindingDB Entry 50004425: Anti-AIDS agents 84. Synthesis and anti-human immunodeficiency virus (HIV) activity of 2'-monomethyl-4-methyl- and 1'-thia-4-methyl-(3'R,4'R)-3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2kp850w
title: BindingDB Entry 50004424: Novel imidazoline compounds as partial or full agonists of D2-like dopamine receptors inspired by I2-imidazoline binding sites ligand 2-BFI.

description: Small molecule binding data for protein Adrenergic receptor alpha-2, Uniprot P19328 and P22086