Reaction Details Report a problem with these data
Target
Cytochrome P450 3A7
Ligand
BDBM50584761
Substrate
n/a
Meas. Tech.
ChEMBL_2160655 (CHEMBL5045405)
IC50
>100000±n/a nM
Citation
 Tu, D; Ning, J; Zou, L; Wang, P; Zhang, Y; Tian, X; Zhang, F; Zheng, J; Ge, G Unique Oxidative Metabolism of Bufalin Generates Two Reactive Metabolites That Strongly Inactivate Human Cytochrome P450 3A. J Med Chem 65:4018-4029 (2022) [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:
BDBM50584761
Synonyms:
BUFALIN | Bufalin | CHEBI:517248
Type:
Small organic molecule
Emp. Form.:
C24H34O4
Mol. Mass.:
386.5244
SMILES:
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r|
Structure:
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