Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BLI0R3
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| Binder Name |
(2S)-2-[[5-[1-[3-[[(1S)-1-Carboxy-2-phenylethyl]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]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL3138122
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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 |
C63H78Cl2N2O8
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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](CC6=CC=CC=C6)C(=O)O)C7=CC(=C(C(=C7)Cl)O)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)O)C)C
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| InChI |
1S/C63H78Cl2N2O8/c1-37(2)14-12-15-38(3)49-24-25-50-46-23-22-44-30-41(26-28-62(44,4)51(46)27-29-63(49,50)5)20-13-21-45(42-33-47(56(68)52(64)35-42)58(70)66-54(60(72)73)31-39-16-8-6-9-17-39)43-34-48(57(69)53(65)36-43)59(71)67-55(61(74)75)32-40-18-10-7-11-19-40/h6-11,16-19,21,33-38,41,44,46,49-51,54-55,68-69H,12-15,20,22-32H2,1-5H3,(H,66,70)(H,67,71)(H,72,73)(H,74,75)/t38?,41-,44?,46-,49+,50-,51-,54-,55-,62-,63+/m0/s1
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| InChIKey |
YDDMMNNHRLUIGS-XWVYYDNQSA-N
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| PubChem Compound ID | ||||
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