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Target
Cytochrome P450 3A4
Ligand
BDBM50043409
Substrate
n/a
Meas. Tech.
ChEMBL_1445008 (CHEMBL3372416)
IC50
>40000±n/a nM
Citation
 Barsanti, PA; Pan, Y; Lu, Y; Jain, R; Cox, M; Aversa, RJ; Dillon, MP; Elling, R; Hu, C; Jin, X; Knapp, M; Lan, J; Ramurthy, S; Rudewicz, P; Setti, L; Subramanian, S; Mathur, M; Taricani, L; Thomas, G; Xiao, L; Yue, Q Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors. ACS Med Chem Lett 6:42-6 (2015) [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:
BDBM50043409
Synonyms:
CHEMBL3355474
Type:
Small organic molecule
Emp. Form.:
C21H24N6O3S
Mol. Mass.:
440.519
SMILES:
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
Structure:
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