Reaction Details Report a problem with these data
Target
Cytochrome P450 2E1
Ligand
BDBM31657
Substrate
BDBM31678
Meas. Tech.
Measurement of CYP2E1 Enzymatic Activity
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
>100000±n/a nM
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 
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:
BDBM31657
Synonyms:
imidazole-dioxolane, 9
Type:
Small organic molecule
Emp. Form.:
C22H23ClN2O3S
Mol. Mass.:
430.948
SMILES:
Oc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM31678
Synonyms:
p-nitrophenol
Type:
Small organic molecule
Emp. Form.:
C6H5NO3
Mol. Mass.:
139.1088
SMILES:
Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: