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Target
Prostaglandin E synthase
Ligand
BDBM26601
Substrate
n/a
Meas. Tech.
ChEMBL_945918 (CHEMBL2340532)
IC50
3800±n/a nM
Citation
 He, S; Li, C; Liu, Y; Lai, L Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen. J Med Chem 56:3296-309 (2013) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1)
Type:
Protein
Mol. Mass.:
17112.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
  
Inhibitor
Name:
BDBM26601
Synonyms:
2-{3-[(5Z)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid | oxoindole-thioxothiazolidinone, 26
Type:
Small organic molecule
Emp. Form.:
C15H10N2O6S2
Mol. Mass.:
378.38
SMILES:
OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
Structure:
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