Approved Ligands
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Trilostane, 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitorCas#: 13647-35-3 Compound CID: 656583Formula: C20H27NO3 Molecular Weight: 329.44IUPAC Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrileSMILES: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)CInChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-NInChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1Synonyms: AB01274788_02 | Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-3-oxo-, (2-alpha,4-alpha,5-alpha,17-beta)- | DTXCID10...
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Dabrafenib, Inhibitor of B-Raf proto-oncogene; serine/threonine kinaseCas#: 1195765-45-7 Compound CID: 44462760Formula: C23H20F3N5O2S2 Molecular Weight: 519.56IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamideSMILES: CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)FInChIKey: BFSMGDJOXZAERB-UHFFFAOYSA-NInChI: InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)Synonyms: GSK-2118436A | GSK-2118436 | AKOS024463285 | CCG-264736 | N-{3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-1,3-t...
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Ponatinib (AP24534), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8;Inhibitor of receptor interacting serine/threonine kinase 1;Inhibitor of receptor interacting serine/threonine kCas#: 943319-70-8 Compound CID: 24826799Formula: C29H27F3N6O Molecular Weight: 532.57IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamideSMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-NInChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)Synonyms: 4340891KFS | BDBM50322535 | Dithioglycerol (VAN) | 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-{4-[(4-meth...
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Trilostane, 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II inhibitorCas#: 13647-35-3 Compound CID: 656583Formula: C20H27NO3 Molecular Weight: 329.44IUPAC Name: (1S,2R,6R,8S,11S,12S,15S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carbonitrileSMILES: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)CInChIKey: KVJXBPDAXMEYOA-CXANFOAXSA-NInChI: InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1Synonyms: Trilostane|13647-35-3|Modrenal|Vetoryl|Desopan|Modrastane|Trilostano|Trilostanum|Win-24540|WIN 24,540|CHEBI:32260|UNI...
