Binder Information
Binder General Information | Top | |||
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Binder ID |
BNHW23
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Binder Name |
Ac-Lys(CoA)-NH2
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Synonyms |
CHEMBL505121; BDBM50255529; Ac-Lys(CoA)-NH2; (Acyl-CoA); [M+H]+;
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C31H53N10O19P3S
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Canonical SMILES |
CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C(=O)N
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InChI |
1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1
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InChIKey |
YGZKIOPJGFQDSR-QGSWMBNESA-N
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PubChem Compound ID |
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