Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BAS53D
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| Binder Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[Acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-4-phenylbutanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143300
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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 |
C42H53FN8O6
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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](CCC1=CC=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/C42H53FN8O6/c1-27(2)25-35(40(56)48-33(38(44)54)15-10-24-47-42(45)46)50-39(55)34(22-18-29-11-6-4-7-12-29)49-41(57)36(26-31-16-20-32(43)21-17-31)51(28(3)52)37(53)23-19-30-13-8-5-9-14-30/h4-9,11-14,16-17,19-21,23,27,33-36H,10,15,18,22,24-26H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H4,45,46,47)/b23-19+/t33-,34+,35-,36-/m0/s1
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| InChIKey |
HCLBNMMKSPNTAU-GBQNUJCSSA-N
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| PubChem Compound ID | ||||
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