Approved Ligands
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Abemaciclib, Cyclin-dependent kinase 6 inhibitorCas#: 1231929-97-7 Compound CID: 46220502Formula: C27H32F2N8 Molecular Weight: 506.59IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amineSMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)FInChIKey: UZWDCWONPYILKI-UHFFFAOYSA-NInChI: InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)Synonyms: L01XE50 | 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-y...
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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...