Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BIG4S3
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| Binder Name |
2-[[5-[1-[3-(Carboxymethylcarbamoyl)-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]butyl]-3-chloro-2-hydroxybenzoyl]amino]acetic acid
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| Synonyms |
CHEMBL3137855
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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 |
C49H68Cl2N2O8
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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)CCCC(C5=CC(=C(C(=C5)Cl)O)C(=O)NCC(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)NCC(=O)O)C)C
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| InChI |
1S/C49H68Cl2N2O8/c1-27(2)8-6-9-28(3)37-14-15-38-34-13-12-32-20-29(16-18-48(32,4)39(34)17-19-49(37,38)5)10-7-11-33(30-21-35(44(58)40(50)23-30)46(60)52-25-42(54)55)31-22-36(45(59)41(51)24-31)47(61)53-26-43(56)57/h21-24,27-29,32-34,37-39,58-59H,6-20,25-26H2,1-5H3,(H,52,60)(H,53,61)(H,54,55)(H,56,57)/t28?,29-,32?,34-,37+,38-,39-,48-,49+/m0/s1
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| InChIKey |
YZTFPJQZOPHIMR-SFYMYBGDSA-N
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| PubChem Compound ID | ||||
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