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Reaction Details
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TargetCytochrome P450 3A4
LigandBDBM21162
Substrate/CompetitorBDBM21150
Meas. Tech.CYP3A4 Enzyme Inhibition Assay
pH7.4±n/a
Temperature310.15±n/a K
IC50 230±80 nM
Citation Ahlström, MMZamora, I Characterization of Type II Ligands in CYP2C9 and CYP3A4. J Med Chem51:1755-1763 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Cytochrome P450 3A4
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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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  Blast E-value cutoff:
BDBM21162
BDBM21150
NameBDBM21162
Synonyms:4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}pyridine | Pyridine-based ligand, 13
TypeSmall organic molecule
Emp. Form.C15H11Cl2N3
Mol. Mass.304.174
SMILESClc1ccc(Cn2cc(cn2)-c2ccncc2)c(Cl)c1
Structure
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