Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B39NGZ
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| Binder Name |
4-(1-Carboxy-2-phenyl-ethylcarbamoyl)-4-[2-(2-{4-[2-(2,4-difluoro-phenyl)-acetylamino]-3-hydroxy-6-methyl-heptanoylamino}-3-methyl-butyrylamino)-propionylamino]-butyric acid
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| Synonyms |
CHEMBL433080; BDBM50127428
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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 |
C38H51F2N5O10
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| Canonical SMILES |
C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](C(CC(C)C)NC(=O)CC2=C(C=C(C=C2)F)F)O
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| InChI |
1S/C38H51F2N5O10/c1-20(2)15-28(42-31(47)17-24-11-12-25(39)18-26(24)40)30(46)19-32(48)45-34(21(3)4)37(53)41-22(5)35(51)43-27(13-14-33(49)50)36(52)44-29(38(54)55)16-23-9-7-6-8-10-23/h6-12,18,20-22,27-30,34,46H,13-17,19H2,1-5H3,(H,41,53)(H,42,47)(H,43,51)(H,44,52)(H,45,48)(H,49,50)(H,54,55)/t22-,27-,28?,29-,30+,34-/m1/s1
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| InChIKey |
YDTBWSBCZSKCJO-TVKJMVCASA-N
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| PubChem Compound ID | ||||
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