Reaction Details  Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50344260
Substrate
n/a
Meas. Tech.
ChEMBL_748235 (CHEMBL1781198)
IC50
>20000±n/a nM
Citation
 Brown, DG; Maier, DL; Sylvester, MA; Hoerter, TN; Menhaji-Klotz, E; Lasota, CC; Hirata, LT; Wilkins, DE; Scott, CW; Trivedi, S; Chen, T; McCarthy, DJ; Maciag, CM; Sutton, EJ; Cumberledge, J; Mathisen, D; Roberts, J; Gupta, A; Liu, F; Elmore, CS; Alhambra, C; Krumrine, JR; Wang, X; Ciaccio, PJ; Wood, MW; Campbell, JB; Johansson, MJ; Xia, J; Wen, X; Jiang, J; Wang, X; Peng, Z; Hu, T; Wang, J 2,6-Disubstituted pyrazines and related analogs as NR2B site antagonists of the NMDA receptor with anti-depressant activity. Bioorg Med Chem Lett 21:3399-403 (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:
BDBM50344260
Synonyms:
CHEMBL1779013 | N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)picolinamide
Type:
Small organic molecule
Emp. Form.:
C19H16FN3O2
Mol. Mass.:
337.3476
SMILES:
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
Structure:
Search PDB for entries with ligand similarity: