Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW52EC
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| Binder Name |
3-{2-[2-Tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-N-(1-carbamoylmethyl-2-phenyl-ethyl)-succinamic acid
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| Synonyms |
CHEMBL3143400; CHEMBL151729; BDBM50020570
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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 |
C36H48N6O8
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)CC(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C
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| InChI |
1S/C36H48N6O8/c1-21(2)15-27(33(47)41-29(19-31(44)45)32(46)39-24(18-30(37)43)16-22-11-7-6-8-12-22)40-34(48)28(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,43)(H,39,46)(H,40,48)(H,41,47)(H,42,49)(H,44,45)/t24-,27-,28-,29-/m0/s1
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| InChIKey |
DDCWLSAGVYYMFZ-JSRHHAARSA-N
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| PubChem Compound ID | ||||
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