Reaction Details Report a problem with these data
Target
Cytochrome P450 2E1
Ligand
BDBM31665
Substrate
BDBM31678
Meas. Tech.
Measurement of CYP2E1 Enzymatic Activity
pH
7.4±n/a
IC50
>100000±n/a nM
Comments
extracted
Citation
Vlahakis, JZ; Hum, M; Rahman, MN; Jia, Z; Nakatsu, K; Szarek, WA Synthesis and evaluation of imidazole-dioxolane compounds as selective heme oxygenase inhibitors: effect of substituents at the 4-position of the dioxolane ring. Bioorg Med Chem 17:2461-75 (2009) [PubMed] Article
More Info.:
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:
BDBM31665
Synonyms:
imidazole-dioxolane, 17
Type:
Small organic molecule
Emp. Form.:
C26H25ClN2O2S
Mol. Mass.:
465.007
SMILES:
Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 |r|