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Target
Cytochrome P450 3A4
Ligand
BDBM50529952
Substrate
n/a
Meas. Tech.
ChEMBL_1910981 (CHEMBL4413427)
IC50
800±n/a nM
Citation
 Saccoliti, F; Madia, VN; Tudino, V; De Leo, A; Pescatori, L; Messore, A; De Vita, D; Scipione, L; Brun, R; Kaiser, M; Mäser, P; Calvet, CM; Jennings, GK; Podust, LM; Pepe, G; Cirilli, R; Faggi, C; Di Marco, A; Battista, MR; Summa, V; Costi, R; Di Santo, R Design, Synthesis, and Biological Evaluation of New 1-(Aryl-1 H-pyrrolyl)(phenyl)methyl-1 H-imidazole Derivatives as Antiprotozoal Agents. J Med Chem 62:1330-1347 (2019) [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:
BDBM50529952
Synonyms:
CHEMBL315874
Type:
Small organic molecule
Emp. Form.:
C20H14Cl3N3
Mol. Mass.:
402.704
SMILES:
Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1
Structure:
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