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Target
Cytochrome P450 3A4
Ligand
BDBM50157198
Substrate
n/a
Meas. Tech.
ChEMBL_304848 (CHEMBL828408)
IC50
30000±n/a nM
Citation
 Shipps, GW; Deng, Y; Wang, T; Popovici-Muller, J; Curran, PJ; Rosner, KE; Cooper, AB; Girijavallabhan, V; Butkiewicz, N; Cable, M Aminothiazole inhibitors of HCV RNA polymerase. Bioorg Med Chem Lett 15:115-9 (2004) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50157198
Synonyms:
2-{Cyclohexyl-[4-(3-trifluoromethyl-benzyloxy)-benzoyl]-amino}-thiazole-5-carboxylic acid | CHEMBL360033
Type:
Small organic molecule
Emp. Form.:
C25H23F3N2O4S
Mol. Mass.:
504.521
SMILES:
OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
Structure:
Search PDB for entries with ligand similarity: