Reaction Details Report a problem with these data
Target
Cytochrome P450 2E1
Ligand
BDBM50183062
Substrate
n/a
Meas. Tech.
ChEMBL_368940 (CHEMBL869056)
IC50
5000±n/a nM
Citation
 Vlahakis, JZ; Kinobe, RT; Bowers, RJ; Brien, JF; Nakatsu, K; Szarek, WA Imidazole-dioxolane compounds as isozyme-selective heme oxygenase inhibitors. J Med Chem 49:4437-41 (2006) [PubMed]  Article 
Target
Name:
Cytochrome P450 2E1
Synonyms:
4-nitrophenol 2-hydroxylase | CP2E1_RAT | CYPIIE1 | Cyp2e | Cyp2e-1 | Cyp2e1
Type:
Enzyme
Mol. Mass.:
56637.32
Organism:
Rattus norvegicus (rat)
Description:
CYP2E1 prepared from rat liver microsomes was used in enzyme assays.
Residue:
493
Sequence:
MAVLGITIALLVWVATLLVISIWKQIYNSWNLPPGPFPLPILGNIFQLDLKDIPKSFTKLAKRFGPVFTLHLGSRRIVVLHGYKAVKEVLLNHKNEFSGRGDIPVFQEYKNKGIIFNNGPTWKDVRRFSLSILRDWGMGKQGNEARIQREAQFLVEELKKTKGQPFDPTFLIGCAPCNVIADILFNKRFDYNDKKCLRLMSLFNENFYLLSTPWIQLYNNFADYLRYLPGSHRKIMKNVSEIKQYTLEKAKEHLQSLDINCARDVTDCLLIEMEKEKHSQEPMYTMENVSVTLADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRVPAVRDRLDMPYMDAVVHEIQRFINLVPSNLPHEATRDTVFQGYVIPKGTVVIPTLDSLLYDSHEFPDPEKFKPEHFLNENGKFKYSDYFKAFSAGKRVCVGEGLARMELFLLLSAILQHFNLKSLVDPKDIDLSPVTVGFGSIPPQFKLCVIPRS
  
Inhibitor
Name:
BDBM50183062
Synonyms:
1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride | 1-((2-(4-chlorophenethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride | 2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane hydrochloride | CHEMBL495072 | CHEMBL541899
Type:
Small organic molecule
Emp. Form.:
C15H17ClN2O2
Mol. Mass.:
292.761
SMILES:
Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1
Structure:
Search PDB for entries with ligand similarity: