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Target
Cytochrome P450 3A2
Ligand
BDBM50592756
Substrate
n/a
Meas. Tech.
ChEMBL_2205314 (CHEMBL5118022)
Ki
52600±n/a nM
Citation
 Li, Y; Liu, Y; Chen, Y; Wang, K; Luan, Y Design, synthesis and antitumor activity study of a gemcitabine prodrug conjugated with a HDAC6 inhibitor. Bioorg Med Chem Lett 72:0 (2022) [PubMed] 
Target
Name:
Cytochrome P450 3A2
Synonyms:
CP3A2_RAT | Cyp3a-2 | Cyp3a11 | Cyp3a2 | Cytochrome P450 3A2 | Testosterone
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57745.12
Organism:
RAT
Description:
Testosterone 0 RAT::P05183
Residue:
504
Sequence:
MDLLSALTLETWVLLAVILVLLYRLGTHRHGIFKKQGIPGPKPLPFLGTVLNYYKGLGRFDMECYKKYGKIWGLFDGQTPVFAIMDTEMIKNVLVKECFSVFTNRRDFGPVGIMGKAVSVAKDEEWKRYRALLSPTFTSGRLKEMFPIIEQYGDILVKYLKQEAETGKPVTMKKVFGAYSMDVITSTSFGVNVDSLNNPKDPFVEKTKKLLRFDFFDPLFLSVVLFPFLTPIYEMLNICMFPKDSIAFFQKFVHRIKETRLDSKHKHRVDFLQLMLNAHNNSKDEVSHKALSDVEIIAQSVIFIFAGYETTSSTLSFVLYFLATHPDIQKKLQEEIDGALPSKAPPTYDIVMEMEYLDMVLNETLRLYPIGNRLERVCKKDIELDGLFIPKGSVVTIPTYALHHDPQHWPKPEEFHPERFSKENKGSIDPYVYLPFGNGPRNCIGMRFALMNMKLALTKVLQNFSFQPCKETQIPLKLSRQAILEPEKPIVLKVLPRDAVINGA
  
Inhibitor
Name:
BDBM50592756
Synonyms:
CHEMBL5182450
Type:
Small organic molecule
Emp. Form.:
C24H39F2N3O5
Mol. Mass.:
487.5804
SMILES:
CCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |r|
Structure:
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