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Target
Cytochrome P450 3A4
Ligand
BDBM50233639
Substrate
n/a
Meas. Tech.
ChEMBL_1651046 (CHEMBL4000301)
IC50
20±n/a nM
Citation
 Duraiswamy, AJ; Lee, MA; Madan, B; Ang, SH; Tan, ES; Cheong, WW; Ke, Z; Pendharkar, V; Ding, LJ; Chew, YS; Manoharan, V; Sangthongpitag, K; Alam, J; Poulsen, A; Ho, SY; Virshup, DM; Keller, TH Discovery and Optimization of a Porcupine Inhibitor. J Med Chem 58:5889-99 (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:
BDBM50233639
Synonyms:
CHEMBL4097104
Type:
Small organic molecule
Emp. Form.:
C23H19N3O2
Mol. Mass.:
369.4159
SMILES:
O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: