Target
Cytochrome P450 3A4
Ligand
BDBM50262376
Substrate
n/a
Meas. Tech.
ChEMBL_514583 (CHEMBL979961)
IC50
180±n/a nM
Citation
 Sweeney, ZKDunn, JPLi, YHeilek, GDunten, PElworthy, TRHan, XHarris, SFHirschfeld, DRHogg, JHHuber, WKaiser, ACKertesz, DJKim, WMirzadegan, TRoepel, MGSaito, YDSilva, TMSwallow, STracy, JLVillasenor, AVora, HZhou, ASKlumpp, K Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem Lett 18:4352-4 (2008) [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:
Human
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50262376
Synonyms:
6-((7-(3-chlorobenzyl)benzofuran-5-yl)methyl)pyridazin-3(2H)-one | CHEMBL504522
Type:
Small organic molecule
Emp. Form.:
C20H15ClN2O2
Mol. Mass.:
350.798
SMILES:
Clc1cccc(Cc2cc(Cc3ccc(=O)[nH]n3)cc3ccoc23)c1
Structure:
Search PDB for entries with ligand similarity: