Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B98MLD
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| Binder Name |
(2S)-6-Acetamido-2-[[(2S)-6-[6-(1,3-benzothiazol-2-ylsulfanyl)hexanoylamino]-2-[[(2S)-2,6-diacetamidohexanoyl]amino]hexanoyl]amino]hexanamide
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| Synonyms |
CHEMBL3883974; BDBM50209638
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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 |
C37H58N8O7S2
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| Canonical SMILES |
CC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=O)CCCCCSC1=NC2=CC=CC=C2S1)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C
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| InChI |
1S/C37H58N8O7S2/c1-25(46)39-21-11-8-16-29(34(38)50)43-36(52)31(44-35(51)30(42-27(3)48)17-9-12-22-40-26(2)47)18-10-13-23-41-33(49)20-5-4-14-24-53-37-45-28-15-6-7-19-32(28)54-37/h6-7,15,19,29-31H,4-5,8-14,16-18,20-24H2,1-3H3,(H2,38,50)(H,39,46)(H,40,47)(H,41,49)(H,42,48)(H,43,52)(H,44,51)/t29-,30-,31-/m0/s1
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| InChIKey |
UNWOUMIQAOKAID-CHQNGUEUSA-N
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| PubChem Compound ID | ||||
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