Reaction Details Report a problem with these data
Target
Cytochrome P450 2E1
Ligand
BDBM50240850
Substrate
n/a
Meas. Tech.
ChEMBL_1491285 (CHEMBL3531728)
Ki
11000±n/a nM
Citation
 Yoshigae, Y; Sridar, C; Kent, UM; Hollenberg, PF The inactivation of human CYP2E1 by phenethyl isothiocyanate, a naturally occurring chemopreventive agent, and its oxidative bioactivation. Drug Metab Dispos 41:858-69 (2013) [PubMed]  Article 
Target
Name:
Cytochrome P450 2E1
Synonyms:
CP2E1_HUMAN | CYP2E | CYP2E1 | Cytochrome P450 2E1 (CYP2E1)
Type:
Enzyme
Mol. Mass.:
56860.34
Organism:
Homo sapiens (Human)
Description:
P05181
Residue:
493
Sequence:
MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRLAQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGPTWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVIADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVAEVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRFITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGKFKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGCIPPRYKLCVIPRS
  
Inhibitor
Name:
BDBM50240850
Synonyms:
(2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | Phenethyl isothiocyanate | phenethylisothiocyanate | phenylethyl isothiocyanate
Type:
Small organic molecule
Emp. Form.:
C9H9NS
Mol. Mass.:
163.239
SMILES:
S=C=NCCc1ccccc1
Structure:
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