Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BF5D9C
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| Binder Name |
3-Hydroxy-2-[2,6-dihydroxy-4-[[[[3beta-[(4-hydroxybenzoyl)amino]hexahydrothiepin]-4alpha-yl]oxy]carbonyl]benzoyl]benzoic acid
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| Synonyms |
CHEMBL76537; SCHEMBL9393090; BDBM50055674
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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 |
C28H25NO10S
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| Canonical SMILES |
C1C[C@H]([C@@H](CSC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O
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| InChI |
1S/C28H25NO10S/c30-16-8-6-14(7-9-16)26(35)29-18-13-40-10-2-5-22(18)39-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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| InChIKey |
VBBJIIXIIXRQOK-XMSQKQJNSA-N
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| PubChem Compound ID | ||||
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