Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BMR20Z
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| Binder Name |
(2S)-2-[[3-Chloro-5-[1-[3-chloro-5-[[(1S)-1,3-dicarboxypropyl]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]pentanedioic acid
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| Synonyms |
CHEMBL3138374
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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 |
C55H74Cl2N2O12
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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](CCC(=O)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C)C
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| InChI |
1S/C55H74Cl2N2O12/c1-29(2)8-6-9-30(3)39-14-15-40-36-13-12-34-24-31(20-22-54(34,4)41(36)21-23-55(39,40)5)10-7-11-35(32-25-37(48(64)42(56)27-32)50(66)58-44(52(68)69)16-18-46(60)61)33-26-38(49(65)43(57)28-33)51(67)59-45(53(70)71)17-19-47(62)63/h11,25-31,34,36,39-41,44-45,64-65H,6-10,12-24H2,1-5H3,(H,58,66)(H,59,67)(H,60,61)(H,62,63)(H,68,69)(H,70,71)/t30?,31-,34?,36-,39+,40-,41-,44-,45-,54-,55+/m0/s1
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| InChIKey |
UIOSTHFSUZMXHV-VLLLBALPSA-N
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| PubChem Compound ID | ||||
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