Target
Cytochrome P450 2E1
Ligand
BDBM50380522
Substrate
n/a
Meas. Tech.
ChEMBL_813104 (CHEMBL2020723)
IC50
50000±n/a nM
Citation
 Foti, RSRock, DAHan, XFlowers, RAWienkers, LCWahlstrom, JL Ligand-based design of a potent and selective inhibitor of cytochrome P450 2C19. J Med Chem 55:1205-14 (2012) [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:
BDBM50380522
Synonyms:
CHEMBL2018907
Type:
Small organic molecule
Emp. Form.:
C14H20N2OS
Mol. Mass.:
264.386
SMILES:
CCCCCCSc1nc2ccc(OC)cc2[nH]1
Structure:
Search PDB for entries with ligand similarity: