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Target
Cytochrome P450 3A4
Ligand
BDBM50379138
Substrate
n/a
Meas. Tech.
ChEMBL_809875 (CHEMBL2014812)
IC50
>10000±n/a nM
Citation
 Skerlj, RT; Bastos, CM; Booker, ML; Kramer, ML; Barker, RH; Celatka, CA; Munoz, B; Sidhu, AB; Cortese, JF; Wittlin, S; Papastogiannidis, P; Angulo-Barturen, I; Jimenez-Diaz, MB; Sybertz, E Optimization of Potent Inhibitors of P. falciparum Dihydroorotate Dehydrogenase for the Treatment of Malaria. ACS Med Chem Lett 2:708-713 (2011) [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:
BDBM50379138
Synonyms:
CHEMBL2012951
Type:
Small organic molecule
Emp. Form.:
C17H15F2N3O2S
Mol. Mass.:
363.382
SMILES:
Cc1nc2c(OC(F)F)cccc2n1-c1ccc(s1)C(=O)NC1CC1
Structure:
Search PDB for entries with ligand similarity: