Reaction Details Report a problem with these data
Target
Phospholipase A2, major isoenzyme
Ligand
BDBM50004497
Substrate
n/a
Meas. Tech.
ChEMBL_156343 (CHEMBL759986)
IC50
15000±n/a nM
Citation
 Bennion, C; Connolly, S; Gensmantel, NP; Hallam, C; Jackson, CG; Primrose, WU; Roberts, GC; Robinson, DH; Slaich, PK Design and synthesis of some substrate analogue inhibitors of phospholipase A2 and investigations by NMR and molecular modeling into the binding interactions in the enzyme-inhibitor complex. J Med Chem 35:2939-51 (1992) [PubMed]  Article 
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:
BDBM50004497
Synonyms:
CHEMBL330205 | Phosphoric acid 2-trimethylamino-ethyl ester 2-hexadecanoylamino-3-octadecyloxy-propyl ester
Type:
Small organic molecule
Emp. Form.:
C42H87N2O6P
Mol. Mass.:
747.1237
SMILES:
CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
Structure:
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