Target
Cytochrome P450 2E1
Ligand
BDBM50396352
Substrate
n/a
Meas. Tech.
ChEMBL_861871 (CHEMBL2173527)
IC50
>10000±n/a nM
Citation
 Díaz, JLCuberes, RBerrocal, JContijoch, MChristmann, UFernández, APort, AHolenz, JBuschmann, HLaggner, CSerafini, MTBurgueño, JZamanillo, DMerlos, MVela, JMAlmansa, C Synthesis and biological evaluation of the 1-arylpyrazole class ofs(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862). J Med Chem 55:8211-24 (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:
BDBM50396352
Synonyms:
CHEMBL2170062
Type:
Small organic molecule
Emp. Form.:
C20H23N3O2
Mol. Mass.:
337.4155
SMILES:
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
Structure:
Search PDB for entries with ligand similarity: