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TargetProstaglandin E synthase
LigandBDBM50337654
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1510157
IC50 1.000000±n/a nM
Citation Noha SMFischer KKoeberle AGarscha UWerz OSchuster D Discovery of novel, non-acidic mPGES-1 inhibitors by virtual screening with a multistep protocol. Bioorg Med Chem 23:4839-45 (2015) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin E synthase
Name:Prostaglandin E synthase
Synonyms:Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E2 synthase-1 ( mPGES-1)
Type:Protein
Mol. Mass.:17112.22
Organism:Homo sapiens (Human)
Description:n/a
Residue:152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL
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  Blast E-value cutoff:
BDBM50337654
n/a
NameBDBM50337654
Synonyms:1-(3-(cyclopropylethynyl)benzyl)-3-isopropyl-1-(3-(phenylethynyl)benzyl)urea | CHEMBL1683210
TypeSmall organic molecule
Emp. Form.C31H30N2O
Mol. Mass.446.5827
SMILESCC(C)NC(=O)N(Cc1cccc(c1)C#CC1CC1)Cc1cccc(c1)C#Cc1ccccc1
Structure
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