Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8O9CL
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| Binder Name |
4-[[(4S)-4-Carboxy-4-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]butanoyl]amino]benzoic acid
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| Synonyms |
CHEMBL1170256; BDBM50322494
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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 |
C36H52N2O8
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](CCC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@@H]5[C@@]4(CC[C@H](C5)O)C)O)C
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| InChI |
1S/C36H52N2O8/c1-20(4-12-31(42)38-28(34(45)46)11-13-30(41)37-23-7-5-21(6-8-23)33(43)44)25-9-10-26-32-27(15-17-36(25,26)3)35(2)16-14-24(39)18-22(35)19-29(32)40/h5-8,20,22,24-29,32,39-40H,4,9-19H2,1-3H3,(H,37,41)(H,38,42)(H,43,44)(H,45,46)/t20-,22-,24-,25-,26+,27+,28+,29-,32+,35+,36-/m1/s1
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| InChIKey |
LJWFGLYJRRGSSU-UUSHMUHQSA-N
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| PubChem Compound ID | ||||
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