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Target
Prostaglandin E synthase
Ligand
BDBM55037
Substrate
n/a
Meas. Tech.
ChEMBL_945919 (CHEMBL2340533)
IC50
1200±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:
BDBM55037
Synonyms:
3-(5-{[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)-4-methylbenzoic acid | 3-[5-[(Z)-[2,4-bis(oxidanylidene)-3-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methyl-benzoic acid | 3-[5-[(Z)-[3-(2-anilino-2-keto-ethyl)-2,4-diketo-thiazolidin-5-ylidene]methyl]-2-furyl]-4-methyl-benzoic acid | 3-[5-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid | 3-[5-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-5-thiazolidinylidene]methyl]-2-furanyl]-4-methylbenzoic acid | MLS000705088 | SMR000231712 | cid_1232170
Type:
Small organic molecule
Emp. Form.:
C24H18N2O6S
Mol. Mass.:
462.475
SMILES:
Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1)C(O)=O
Structure:
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