Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BG81TS
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[Acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143316
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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 |
C41H50FN9O8
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=C(C=C2)F)N(C(=O)C)C(=O)/C=C/C3=CC=CC=C3
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| InChI |
1S/C41H50FN9O8/c1-25(2)22-33(38(55)47-32(37(43)54)10-7-21-46-41(44)45)48-39(56)34(23-28-13-18-31(19-14-28)51(58)59)49-40(57)35(24-29-11-16-30(42)17-12-29)50(26(3)52)36(53)20-15-27-8-5-4-6-9-27/h4-6,8-9,11-20,25,32-35H,7,10,21-24H2,1-3H3,(H2,43,54)(H,47,55)(H,48,56)(H,49,57)(H4,44,45,46)/b20-15+/t32-,33-,34-,35-/m0/s1
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| InChIKey |
VYXJRGYLPBOTKF-UUMRZIGESA-N
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| PubChem Compound ID | ||||
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