Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BCKL30
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| Binder Name |
Methyl N'-[(2S,3S)-1-[[(2R)-1-(3,4-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-N-(3-nitrophenyl)carbamimidothioate
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| Synonyms |
CHEMBL4070680; BDBM50234637
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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 |
C31H37N5O4S
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)C)N=C(NC3=CC(=CC=C3)[N+](=O)[O-])SC
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| InChI |
1S/C31H37N5O4S/c1-6-20(2)28(35-31(41-5)33-24-13-10-14-26(19-24)36(39)40)30(38)34-27(18-23-11-8-7-9-12-23)29(37)32-25-16-15-21(3)22(4)17-25/h7-17,19-20,27-28H,6,18H2,1-5H3,(H,32,37)(H,33,35)(H,34,38)/t20-,27+,28-/m0/s1
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| InChIKey |
WVFSJVZAOJLILB-UASRBLEQSA-N
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| PubChem Compound ID | ||||
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