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Target
Cytochrome P450 3A4
Ligand
BDBM147139
Substrate
n/a
Meas. Tech.
ChEMBL_1544115 (CHEMBL3750734)
IC50
>50000±n/a nM
Citation
 Raheem, IT; Schreier, JD; Fuerst, J; Gantert, L; Hostetler, ED; Huszar, S; Joshi, A; Kandebo, M; Kim, SH; Li, J; Ma, B; McGaughey, G; Sharma, S; Shipe, WD; Uslaner, J; Vandeveer, GH; Yan, Y; Renger, JJ; Smith, SM; Coleman, PJ; Cox, CD Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg Med Chem Lett 26:126-32 (2016) [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:
BDBM147139
Synonyms:
US8957077, 1-9
Type:
Small organic molecule
Emp. Form.:
C15H17N5S
Mol. Mass.:
299.394
SMILES:
Cc1nc(C)c(CNc2cc(nc3ccnn23)C2CC2)s1
Structure:
Search PDB for entries with ligand similarity: