Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BZY0V6
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| Binder Name |
(2S)-2-[[3-Chloro-5-[1-[3-chloro-5-[[(1S)-1,2-dicarboxyethyl]carbamoyl]-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]-2-hydroxybenzoyl]amino]butanedioic acid
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| Synonyms |
CHEMBL3138117
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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 |
C53H70Cl2N2O12
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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(=O)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)C)C
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| InChI |
1S/C53H70Cl2N2O12/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-52(32,4)39(34)17-19-53(37,38)5)10-7-11-33(30-21-35(46(62)40(54)23-30)48(64)56-42(50(66)67)25-44(58)59)31-22-36(47(63)41(55)24-31)49(65)57-43(51(68)69)26-45(60)61/h11,21-24,27-29,32,34,37-39,42-43,62-63H,6-10,12-20,25-26H2,1-5H3,(H,56,64)(H,57,65)(H,58,59)(H,60,61)(H,66,67)(H,68,69)/t28?,29-,32?,34-,37+,38-,39-,42-,43-,52-,53+/m0/s1
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| InChIKey |
PHKHNFRWBACUFW-UDOYWIDGSA-N
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| PubChem Compound ID | ||||
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