Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2E1
LigandBDBM50360601
Substrate/Competitorn/a
Meas. Tech.ChEMBL_854493 (CHEMBL2160815)
IC50>100000±n/a nM
Citation Xiong, YGuo, JCandelore, MRLiang, RMiller, CDallas-Yang, QJiang, GMcCann, PEQureshi, SATong, XXu, SSShang, JVincent, SHTota, LMWright, MJYang, XZhang, BBTata, JRParmee, ER Discovery of a novel glucagon receptor antagonist N-[(4-{(1S)-1-[3-(3, 5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-ß-alanine (MK-0893) for the treatment of type II diabetes. J Med Chem55:6137-48 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2E1
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:
MSALGVTVALLVWAAFLLLVSMWRQVHSSWNLPPGPFPLPIIGNLFQLELKNIPKSFTRL
AQRFGPVFTLYVGSQRMVVMHGYKAVKEALLDYKDEFSGRGDLPAFHAHRDRGIIFNNGP
TWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVI
ADILFRKHFDYNDEKFLRLMYLFNENFHLLSTPWLQLYNNFPSFLHYLPGSHRKVIKNVA
EVKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAG
TETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMDAVVHEIQRF
ITLVPSNLPHEATRDTIFRGYLIPKGTVVVPTLDSVLYDNQEFPDPEKFKPEHFLNENGK
FKYSDYFKPFSTGKRVCAGEGLARMELFLLLCAILQHFNLKPLVDPKDIDLSPIHIGFGC
IPPRYKLCVIPRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50360601
n/a
NameBDBM50360601
Synonyms:CHEMBL1933349 | MK-0893
TypeSmall organic molecule
Emp. Form.C32H27Cl2N3O4
Mol. Mass.588.48
SMILESCOc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: