Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B68JPH
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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-(4-chlorophenyl)prop-2-enoyl]amino]-1H-1,2,4-triazole-5-carboxamide
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| Synonyms |
CHEMBL33435; BDBM50077723
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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 |
C36H46ClN11O5
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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=CC=C(C=C4)Cl
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| InChI |
1S/C36H46ClN11O5/c37-25-16-13-22(14-17-25)15-18-29(49)45-36-46-31(47-48-36)34(53)44-28(21-24-10-5-2-6-11-24)33(52)42-26(12-7-19-41-35(39)40)32(51)43-27(30(38)50)20-23-8-3-1-4-9-23/h1,3-4,8-9,13-18,24,26-28H,2,5-7,10-12,19-21H2,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H4,39,40,41)(H2,45,46,47,48,49)/b18-15+/t26-,27-,28-/m0/s1
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| InChIKey |
NQVLOIYDAVSHMU-NIDMRMLBSA-N
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| PubChem Compound ID | ||||
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