Approved Ligands
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MK-4827 (Niraparib), Poly [ADP-ribose] polymerase-1 inhibitorCas#: 1038915-60-4 Compound CID: 24958200Formula: C19H20N4O Molecular Weight: 320.39IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamideSMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)NInChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-NInChI: InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1Synonyms: 2-(4-(3S)-3-piperidinylphenyl)-2H-indazole-7-carboxamide | 1038915-60-4 | STL556264 | LABETALOL [WHO-DD] | DTXCID8068...
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Dipyridamole, 3',5'-cyclic phosphodiesterase inhibitorCas#: 58-32-2 Compound CID: 3108Formula: C24H40N8O4 Molecular Weight: 504.63IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanolSMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCOInChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-NInChI: InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2Synonyms: (3E)-3-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methylene]dihydro-5-methoxy-2(3H)3-[(1E)-...
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MetyraponeCas#: 54-36-4 Compound CID: 4174Formula: C14H14N2O Molecular Weight: 226.27IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-oneSMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3Synonyms: AMY832 | Metopiron | METOPIRONE (TN) | METYRAPONE [INN] | Metroprione | Methopyrinine | metyrapone | Tox21_110323_1 |...
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Fadrozole (CGS16949A), Inhibitor of CYP11B1;Inhibitor of CYP11B2;Inhibitor of CYP19A1Cas#: 102676-47-1 Compound CID: 59693Formula: C14H13N3 Molecular Weight: 223.27IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrileSMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#NInChIKey: CLPFFLWZZBQMAO-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2Synonyms: (Rac)-FAD286 | CGS 16949A free base
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MetyraponeCas#: 54-36-4 Compound CID: 4174Formula: C14H14N2O Molecular Weight: 226.27IUPAC Name: 2-methyl-1,2-dipyridin-3-ylpropan-1-oneSMILES: CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2InChIKey: FJLBFSROUSIWMA-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3Synonyms: metyrapone|54-36-4|2-Methyl-1,2-di-3-pyridyl-1-propanone|Metopirone|Methopyrapone|Metopiron|Methapyrapone|Methopirapo...
![, Poly [ADP-ribose] polymerase-1 inhibitor](https://mgt-en.env.aladdin-e.com/media/catalog/product/cache/23f8920b7729a4eae9ddb5887ff6bf23/M/1/M127627.jpg)
