Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BX1QJ8
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| Binder Name |
3-[[5-[1-[3-(2-Carboxyethylcarbamoyl)-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]propanoic acid
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| Synonyms |
CHEMBL3137853
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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 |
C51H70Cl2N2O8
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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)NCCC(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)NCCC(=O)O)C)C
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| InChI |
1S/C51H70Cl2N2O8/c1-29(2)8-6-9-30(3)39-14-15-40-36-13-12-34-24-31(16-20-50(34,4)41(36)17-21-51(39,40)5)10-7-11-35(32-25-37(46(60)42(52)27-32)48(62)54-22-18-44(56)57)33-26-38(47(61)43(53)28-33)49(63)55-23-19-45(58)59/h11,25-31,34,36,39-41,60-61H,6-10,12-24H2,1-5H3,(H,54,62)(H,55,63)(H,56,57)(H,58,59)/t30?,31-,34?,36-,39+,40-,41-,50-,51+/m0/s1
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| InChIKey |
BBZNSHRWMUNFHZ-GAWUWEOGSA-N
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| PubChem Compound ID | ||||
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