Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW2J9N
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| Binder Name |
2-{4-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-propionylamino]-3-carboxy-propionylamino}-4-carboxy-butyrylamino)-2-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-ethyl]-phenyl}-2-fluoro-malonic acid
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| Synonyms |
CHEMBL168475; BDBM50088885
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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 |
C36H48FN7O17
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)C(C(=O)O)(C(=O)O)F)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)C
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| InChI |
1S/C36H48FN7O17/c1-15(2)11-21(28(38)52)42-32(56)22(12-18-5-7-19(8-6-18)36(37,34(58)59)35(60)61)44-30(54)20(9-10-25(46)47)41-33(57)24(14-27(50)51)43-29(53)16(3)39-31(55)23(13-26(48)49)40-17(4)45/h5-8,15-16,20-24H,9-14H2,1-4H3,(H2,38,52)(H,39,55)(H,40,45)(H,41,57)(H,42,56)(H,43,53)(H,44,54)(H,46,47)(H,48,49)(H,50,51)(H,58,59)(H,60,61)/t16-,20-,21-,22-,23-,24-/m0/s1
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| InChIKey |
AWGCUMFQINZVAP-HHGQUTBBSA-N
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| PubChem Compound ID | ||||
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