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Target
Cytochrome P450 3A4
Ligand
BDBM50519563
Substrate
n/a
Meas. Tech.
ChEMBL_1876696 (CHEMBL4378090)
Ki
90±n/a nM
Citation
 Ashton, TD; Devine, SM; Möhrle, JJ; Laleu, B; Burrows, JN; Charman, SA; Creek, DJ; Sleebs, BE The Development Process for Discovery and Clinical Advancement of Modern Antimalarials. J Med Chem 62:10526-10562 (2019) [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:
BDBM50519563
Synonyms:
Piperaquine
Type:
Small organic molecule
Emp. Form.:
C29H32Cl2N6
Mol. Mass.:
535.511
SMILES:
Clc1ccc2c(ccnc2c1)N1CCN(CCCN2CCN(CC2)c2ccnc3cc(Cl)ccc23)CC1
Structure:
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