Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BM69TF
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| Binder Name |
3-[[[(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]methyl]benzoic acid
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| Synonyms |
CHEMBL1170257; BDBM50322495
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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 |
C37H54N2O8
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| Canonical SMILES |
C[C@H](CCC(=O)N[C@@H](CCC(=O)NCC1=CC(=CC=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/C37H54N2O8/c1-21(7-11-32(43)39-29(35(46)47)10-12-31(42)38-20-22-5-4-6-23(17-22)34(44)45)26-8-9-27-33-28(14-16-37(26,27)3)36(2)15-13-25(40)18-24(36)19-30(33)41/h4-6,17,21,24-30,33,40-41H,7-16,18-20H2,1-3H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)/t21-,24-,25-,26-,27+,28+,29+,30-,33+,36+,37-/m1/s1
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| InChIKey |
UZMOCNIKTZIDSX-AAVZYEHQSA-N
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| PubChem Compound ID | ||||
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