Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BIDA81
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[Acetyl(1H-indol-3-yl)amino]-3-(4-fluorophenyl)propanoyl]amino]-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
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| Synonyms |
CHEMBL3143258
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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 |
C41H53FN12O5
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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=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)F)N(C3=CNC4=CC=CC=C43)C(=O)C
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| InChI |
1S/C41H53FN12O5/c1-23(2)19-32(37(57)51-31(36(43)56)9-6-18-48-40(44)45)52-38(58)33(20-25-12-16-28(17-13-25)50-41(46)47)53-39(59)34(21-26-10-14-27(42)15-11-26)54(24(3)55)35-22-49-30-8-5-4-7-29(30)35/h4-5,7-8,10-17,22-23,31-34,49H,6,9,18-21H2,1-3H3,(H2,43,56)(H,51,57)(H,52,58)(H,53,59)(H4,44,45,48)(H4,46,47,50)/t31-,32-,33-,34-/m0/s1
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| InChIKey |
FBEWXKKGKNENJT-CUPIEXAXSA-N
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| PubChem Compound ID | ||||
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