Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50336978
Substrate
n/a
Meas. Tech.
ChEMBL_719028 (CHEMBL1679090)
IC50
1000±n/a nM
Citation
 Eastwood, P; Esteve, C; González, J; Fonquerna, S; Aiguadé, J; Carranco, Is; Doménech, T; Aparici, Ms; Miralpeix, M; Albertí, J; Córdoba, M; Fernández, R; Pont, Ms; Godessart, Ns; Prats, N; Loza, Ms; Cadavid, Ms; Nueda, A Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist ACS Med Chem Lett 2:213-218 (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:
BDBM50336978
Synonyms:
CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyridin-2-yl)pyrazin-2-yl)cyclopropanecarboxamide
Type:
Small organic molecule
Emp. Form.:
C18H14FN5O
Mol. Mass.:
335.3351
SMILES:
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Structure:
Search PDB for entries with ligand similarity: