Reaction Details Report a problem with these data
Target
Cytochrome P450 3A7
Ligand
BDBM50318484
Substrate
n/a
Meas. Tech.
ChEMBL_2033578 (CHEMBL4687736)
Ki
12300±n/a nM
Citation
 Nelson, KM; Bisson, J; Singh, G; Graham, JG; Chen, SN; Friesen, JB; Dahlin, JL; Niemitz, M; Walters, MA; Pauli, GF The Essential Medicinal Chemistry of Cannabidiol (CBD). J Med Chem 63:12137-12155 (2020) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A7
Synonyms:
1.14.14.1 | CP3A7_HUMAN | CYP3A7 | CYPIIIA7 | Cytochrome P450 3A7 | Cytochrome P450-HFLA | P450HLp2
Type:
PROTEIN
Mol. Mass.:
57485.39
Organism:
Homo sapiens
Description:
ChEMBL_109496
Residue:
503
Sequence:
MDLIPNLAVETWLLLAVSLILLYLYGTRTHGLFKKLGIPGPTPLPFLGNALSFRKGYWTFDMECYKKYRKVWGIYDCQQPMLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKNAISIAEDEEWKRIRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKHVFGAYSMDVITSTSFGVSIDSLNNPQDPFVENTKKLLRFNPLDPFVLSIKVFPFLTPILEALNITVFPRKVISFLTKSVKQIKEGRLKETQKHRVDFLQLMIDSQNSKDSETHKALSDLELMAQSIIFIFAGYETTSSVLSFIIYELATHPDVQQKVQKEIDTVLPNKAPPTYDTVLQLEYLDMVVNETLRLFPVAMRLERVCKKDVEINGMFIPKGVVVMIPSYVLHHDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALVNMKLALVRVLQNFSFKPCKETQIPLKLRFGGLLLTEKPIVLKAESRDETVSGA
  
Inhibitor
Name:
BDBM50318484
Synonyms:
2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol | CANNABIDIOL | CHEMBL190461
Type:
Small organic molecule
Emp. Form.:
C21H30O2
Mol. Mass.:
314.4617
SMILES:
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
Structure:
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