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Target
Cytochrome P450 2E1
Ligand
BDBM50183064
Substrate
n/a
Meas. Tech.
ChEMBL_368940 (CHEMBL869056)
IC50
20000±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:
BDBM50183064
Synonyms:
(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4-methyl-1,3-dioxolane hydrochloride | 1-(((2S,4S)-2-(4-chlorophenethyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride | CHEMBL535614
Type:
Small organic molecule
Emp. Form.:
C16H19ClN2O2
Mol. Mass.:
306.787
SMILES:
C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Structure:
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