Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BGDV59
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| Binder Name |
(S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(S)-2-[(S)-3-(1H-indol-3-yl)-2-methylamino-propionylamino]-6-(3-o-tolyl-ureido)-hexanoyl]-methyl-amino}-succinamic acid
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| Synonyms |
CHEMBL434674; BDBM50040524
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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 |
C40H50N8O7
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| Canonical SMILES |
CC1=CC=CC=C1NC(=O)NCCCC[C@@H](C(=O)N(C)[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC
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| InChI |
1S/C40H50N8O7/c1-25-13-7-9-17-29(25)47-40(55)43-20-12-11-19-31(45-37(52)33(42-2)22-27-24-44-30-18-10-8-16-28(27)30)39(54)48(3)34(23-35(49)50)38(53)46-32(36(41)51)21-26-14-5-4-6-15-26/h4-10,13-18,24,31-34,42,44H,11-12,19-23H2,1-3H3,(H2,41,51)(H,45,52)(H,46,53)(H,49,50)(H2,43,47,55)/t31-,32-,33-,34-/m0/s1
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| InChIKey |
HEURYSWBWQAXDP-CUPIEXAXSA-N
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| PubChem Compound ID | ||||
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