Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW5T4J
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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-pyridin-3-ylpropanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143315
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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 |
C40H50FN9O6
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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=CN=CC=C1)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/C40H50FN9O6/c1-25(2)21-32(37(54)47-31(36(42)53)12-8-20-46-40(43)44)48-38(55)33(22-29-11-7-19-45-24-29)49-39(56)34(23-28-13-16-30(41)17-14-28)50(26(3)51)35(52)18-15-27-9-5-4-6-10-27/h4-7,9-11,13-19,24-25,31-34H,8,12,20-23H2,1-3H3,(H2,42,53)(H,47,54)(H,48,55)(H,49,56)(H4,43,44,46)/b18-15+/t31-,32-,33-,34-/m0/s1
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| InChIKey |
ZFKOPBPPBVVNDJ-IMLYWLLWSA-N
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| PubChem Compound ID | ||||
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