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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Cyclosporin A, Cyclophilin A modulatorCas#: 59865-13-3 Compound CID: 5284373Formula: C62H111N11O12 Molecular Weight: 1202.61IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undeconeSMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)CInChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-NInChI: InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1Synonyms: Cicloral (antibiotic) | cyclosporine | CYCLOSPORINE [HSDB] | Cyclosporine [USAN:USP] | CYCLOSPORINE [VANDF] | Prestwi...
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Meclofenamic Acid, Inhibitor of COX-1;Inhibitor of COX-2;Channel blocker of TRPM4Cas#: 644-62-2 Compound CID: 4037Formula: C14H11Cl2NO2 Molecular Weight: 296.15IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acidSMILES: CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)ClInChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-NInChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)Synonyms: KBio2_003941 | 2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid | Arquel Tablets | DTXSID0048559 | GTPL7219 | SBI-0...
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Naproxen, Inhibitor of COX-1;Inhibitor of COX-2Cas#: 22204-53-1 Compound CID: 156391Formula: C14H14O3 Molecular Weight: 230.26IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidSMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OInChIKey: CMWTZPSULFXXJA-VIFPVBQESA-NInChI: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1Synonyms: NAPROXEN|22204-53-1|(S)-Naproxen|Naprosyn|(+)-Naproxen|Naproxene|Equiproxen|(S)-2-(6-methoxynaphthalen-2-yl)propanoic...
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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...
