Reaction Details Report a problem with these data
Target
Cytochrome P450 2A5
Ligand
BDBM50159252
Substrate
n/a
Meas. Tech.
ChEMBL_572014 (CHEMBL1023676)
IC50
13002±n/a nM
Citation
 Roy, K; Roy, PP Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. Eur J Med Chem 44:1941-51 (2009) [PubMed]  Article 
Target
Name:
Cytochrome P450 2A5
Synonyms:
CP2A5_MOUSE | Cyp2a-5 | Cyp2a5
Type:
PROTEIN
Mol. Mass.:
56752.73
Organism:
Mus musculus
Description:
ChEMBL_572014
Residue:
494
Sequence:
MLTSGLLLVAAVAFLSVLVLMSVWKQRKLSGKLPPGPTPLPFIGNFLQLNTEQMYNSLMKISQRYGPVFTIYLGPRRIVVLCGQEAVKEALVDQAEEFSGRGEQATFDWLFKGYGVVFSSGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDSFRKTNGAFIDPTFYLSRTVSNVISSIVFGDRFDYEDKEFLSLLRMMLGSFQFTATSMGQLYEMFSSVMKHLPGPQQQAFKELQGLEDFITKKVEHNQRTLDPNSPRDFIDSFLIRMLEEKKNPNTEFYMKNLVLTTLNLFFAGTETVSTTLRYGFLLLMKHPDIEAKVHEEIDRVIGRNRQPKYEDRMKMPYTEAVIHEIQRFADMIPMGLARRVTKDTKFRDFLLPKGTEVFPMLGSVLKDPKFFSNPKDFNPKHFLDDKGQFKKNDAFVPFSIGKRYCFGEGLARMELFLFLTNIMQNFHFKSTQAPQDIDVSPRLVGFATIPPTYTMSFLSR
  
Inhibitor
Name:
BDBM50159252
Synonyms:
1-chloro-2-phenylbenzene | 2-Chlorbiphenyl | 2-Chlorobiphenyl | 2-Monochlorobiphenyl | 2-chloro-1,1'-biphenyl | 2-chlorodiphenyl | CHEMBL191745 | o-chlorobiphenyl | o-chlorodiphenyl
Type:
Small organic molecule
Emp. Form.:
C12H9Cl
Mol. Mass.:
188.653
SMILES:
Clc1ccccc1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: