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TargetCytochrome P450 2E1
LigandBDBM50239606
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666569 (CHEMBL4016365)
IC50>40000±n/a nM
Citation Ye, XYChen, SYWu, SYoon, DSWang, HHong, ZO'Connor, SPLi, JLi, JJKennedy, LJWalker, SJNayeem, ASheriff, SCamac, DMRamamurthy, VMorin, PEZebo, RTaylor, JRMorgan, NNPonticiello, RPHarrity, TApedo, AGolla, RSeethala, RWang, MHarper, TWSleczka, BGHe, BKirby, MLeahy, DKLi, JHanson, RLGuo, ZLi, YXDiMarco, JDScaringe, RMaxwell, BMoulin, FBarrish, JCGordon, DARobl, JA Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11?-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem60:4932-4948 (2017) [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
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  Blast E-value cutoff:
BDBM50239606
n/a
NameBDBM50239606
Synonyms:CHEMBL4080667
TypeSmall organic molecule
Emp. Form.C21H27NO3
Mol. Mass.341.444
SMILESOC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|
Structure
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