Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50158528
Substrate
n/a
Meas. Tech.
ChEMBL_603288 (CHEMBL1049512)
IC50
>30000±n/a nM
Citation
 Goulet, S; Poupart, MA; Gillard, J; Poirier, M; Kukolj, G; Beaulieu, PL Discovery of benzimidazole-diamide finger loop (Thumb Pocket I) allosteric inhibitors of HCV NS5B polymerase: Implementing parallel synthesis for rapid linker optimization. Bioorg Med Chem Lett 20:196-200 (2010) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50158528
Synonyms:
(S)-1-cyclohexyl-2-(furan-3-yl)-N-(2-(5-hydroxy-1H-indol-3-yl)-1-(thiazol-4-yl)ethyl)-1H-benzo[d]imidazole-5-carboxamide | 1-cyclohexyl-2-(furan-3-yl)-N-((S)-2-(5-hydroxy-1H-indol-3-yl)-1-(thiazol-4-yl)ethyl)-1H-benzo[d]imidazole-5-carboxamide | CHEMBL376487
Type:
Small organic molecule
Emp. Form.:
C31H29N5O3S
Mol. Mass.:
551.659
SMILES:
Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r|
Structure:
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