Reaction Details Report a problem with these data
Target
Cytochrome P450 2J2
Ligand
BDBM79021
Substrate
n/a
Meas. Tech.
ChEMBL_1485701 (CHEMBL3541093)
IC50
18500±n/a nM
Citation
 Ren, S; Zeng, J; Mei, Y; Zhang, JZ; Yan, SF; Fei, J; Chen, L Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors. Drug Metab Dispos 41:60-71 (2012) [PubMed]  Article 
Target
Name:
Cytochrome P450 2J2
Synonyms:
CP2J2_HUMAN | CYP2J2
Type:
Enzyme
Mol. Mass.:
57623.04
Organism:
Homo sapiens (Human)
Description:
P51589
Residue:
502
Sequence:
MLAAMGSLAAALWAVVHPRTLLLGTVAFLLAADFLKRRRPKNYPPGPWRLPFLGNFFLVDFEQSHLEVQLFVKKYGNLFSLELGDISAVLITGLPLIKEALIHMDQNFGNRPVTPMREHIFKKNGLIMSSGQAWKEQRRFTLTALRNFGLGKKSLEERIQEEAQHLTEAIKEENGQPFDPHFKINNAVSNIICSITFGERFEYQDSWFQQLLKLLDEVTYLEASKTCQLYNVFPWIMKFLPGPHQTLFSNWKKLKLFVSHMIDKHRKDWNPAETRDFIDAYLKEMSKHTGNPTSSFHEENLICSTLDLFFAGTETTSTTLRWALLYMALYPEIQEKVQAEIDRVIGQGQQPSTAARESMPYTNAVIHEVQRMGNIIPLNVPREVTVDTTLAGYHLPKGTMILTNLTALHRDPTEWATPDTFNPDHFLENGQFKKREAFMPFSIGKRACLGEQLARTELFIFFTSLMQKFTFRPPNNEKLSLKFRMGITISPVSHRLCAVPQV
  
Inhibitor
Name:
BDBM79021
Synonyms:
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride | MLS001401398 | NCGC00092386 | SMR000466298 | Sertraline | [(1S,4S)-4-(3,4-dichlorophenyl)tetralin-1-yl]-methyl-amine;hydrochloride | cid_63009
Type:
Small organic molecule
Emp. Form.:
C17H17Cl2N
Mol. Mass.:
306.23
SMILES:
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: