Reaction Details Report a problem with these data
Target
Phospholipase A2, major isoenzyme
Ligand
BDBM50055366
Substrate
n/a
Meas. Tech.
ChEMBL_2237082 (CHEMBL5150978)
IC50
48±n/a nM
Citation
 Robello, M; Barresi, E; Baglini, E; Salerno, S; Taliani, S; Settimo, FD The Alpha Keto Amide Moiety as a Privileged Motif in Medicinal Chemistry: Current Insights and Emerging Opportunities. J Med Chem 64:3508-3545 (2021) [PubMed] 
Target
Name:
Phospholipase A2, major isoenzyme
Synonyms:
Group IB phospholipase A2 | PA21B_PIG | PLA2G1B | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2
Type:
Hydrolase; monomer or homodimer
Mol. Mass.:
16279.83
Organism:
Sus scrofa (pig)
Description:
Purchased from Sigma.
Residue:
146
Sequence:
MKFLVLAVLLTVGAAQEGISSRALWQFRSMIKCAIPGSHPLMDFNNYGCYCGLGGSGTPVDELDRCCETHDNCYRDAKNLDSCKFLVDNPYTESYSYSCSNTEITCNSKNNACEAFICNCDRNAAICFSKAPYNKEHKNLDTKKYC
  
Inhibitor
Name:
BDBM50055366
Synonyms:
(3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-acetic acid | (3-Aminooxalyl-1-benzyl-2-ethyl-2,3-dihydro-1H-indol-4-yloxy)-acetic acid | 2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-indol-4-yloxy)acetic acid | CHEMBL148674 | Varespladib sodium
Type:
Small organic molecule
Emp. Form.:
C21H20N2O5
Mol. Mass.:
380.3939
SMILES:
CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: