Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B7PY8S
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| Binder Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-3-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]-1H-1,2,4-triazole-5-carboxamide
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| Synonyms |
CHEMBL430734; BDBM50077770
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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 |
C38H48N12O5
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| Canonical SMILES |
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)C3=NC(=NN3)NC(=O)/C=C/C4=CNC5=CC=CC=C54
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| InChI |
1S/C38H48N12O5/c39-32(52)29(20-23-10-3-1-4-11-23)45-34(53)28(16-9-19-42-37(40)41)44-35(54)30(21-24-12-5-2-6-13-24)46-36(55)33-48-38(50-49-33)47-31(51)18-17-25-22-43-27-15-8-7-14-26(25)27/h1,3-4,7-8,10-11,14-15,17-18,22,24,28-30,43H,2,5-6,9,12-13,16,19-21H2,(H2,39,52)(H,44,54)(H,45,53)(H,46,55)(H4,40,41,42)(H2,47,48,49,50,51)/b18-17+/t28-,29-,30-/m0/s1
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| InChIKey |
QLIIQOCQASSWRH-SENNXDLQSA-N
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| PubChem Compound ID | ||||
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