Reaction Details  Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50428123
Substrate
n/a
Meas. Tech.
ChEMBL_944981 (CHEMBL2344472)
IC50
>10000±n/a nM
Citation
 Pei, Z; Blackwood, E; Liu, L; Malek, S; Belvin, M; Koehler, MF; Ortwine, DF; Chen, H; Cohen, F; Kenny, JR; Bergeron, P; Lau, K; Ly, C; Zhao, X; Estrada, AA; Truong, T; Epler, JA; Nonomiya, J; Trinh, L; Sideris, S; Lesnick, J; Bao, L; Vijapurkar, U; Mukadam, S; Tay, S; Deshmukh, G; Chen, YH; Ding, X; Friedman, LS; Lyssikatos, JP Discovery and Biological Profiling of Potent and Selective mTOR Inhibitor GDC-0349. ACS Med Chem Lett 4:103-7 (2013) [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:
BDBM50428123
Synonyms:
CHEMBL2331680 | GDC-0349
Type:
Small organic molecule
Emp. Form.:
C24H32N6O3
Mol. Mass.:
452.5493
SMILES:
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 |r|
Structure:
Search PDB for entries with ligand similarity: