Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BH8YF0
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| Binder Name |
(2S)-2-[[5-[1-[3-[[(1S)-1-Carboxy-3-methylbutyl]carbamoyl]-5-chloro-4-hydroxyphenyl]-4-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoyl]amino]-4-methylpentanoic acid
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| Synonyms |
CHEMBL3138094
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C57H82Cl2N2O8
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| Canonical SMILES |
CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@@H](C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C)C
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| InChI |
1S/C57H82Cl2N2O8/c1-31(2)12-10-13-34(7)43-18-19-44-40-17-16-38-26-35(20-22-56(38,8)45(40)21-23-57(43,44)9)14-11-15-39(36-27-41(50(62)46(58)29-36)52(64)60-48(54(66)67)24-32(3)4)37-28-42(51(63)47(59)30-37)53(65)61-49(55(68)69)25-33(5)6/h15,27-35,38,40,43-45,48-49,62-63H,10-14,16-26H2,1-9H3,(H,60,64)(H,61,65)(H,66,67)(H,68,69)/t34?,35-,38?,40-,43+,44-,45-,48-,49-,56-,57+/m0/s1
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| InChIKey |
OUQIOEPTFHCWPD-WNFSKJILSA-N
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| PubChem Compound ID | ||||
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