Reaction Details Report a problem with these data
Target
Cytosolic phospholipase A2
Ligand
BDBM50136729
Substrate
n/a
Meas. Tech.
ChEMBL_52521 (CHEMBL665294)
IC50
38000±n/a nM
Citation
 McKew, JC; Lovering, F; Clark, JD; Bemis, J; Xiang, Y; Shen, M; Zhang, W; Alvarez, JC; Joseph-McCarthy, D Structure-activity relationships of indole cytosolic phospholipase A(2)alpha inhibitors: substrate mimetics. Bioorg Med Chem Lett 13:4501-4 (2003) [PubMed]  Article 
Target
Name:
Cytosolic phospholipase A2
Synonyms:
CPLA2 | Lysophospholipase | PA24A_HUMAN | PLA2G4 | PLA2G4A | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2 | Phospholipase A2 group IVA
Type:
Protein
Mol. Mass.:
85219.30
Organism:
Homo sapiens (Human)
Description:
P47712
Residue:
749
Sequence:
MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGAFGDMLDTPDPYVELFISTTPDSRKRTRHFNNDINPVWNETFEFILDPNQENVLEITLMDANYVMDETLGTATFTVSSMKVGEKKEVPFIFNQVTEMVLEMSLEVCSCPDLRFSMALCDQEKTFRQQRKEHIRESMKKLLGPKNSEGLHSARDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYVAGLSGSTWYMSTLYSHPDFPEKGPEEINEELMKNVSHNPLLLLTPQKVKRYVESLWKKKSSGQPVTFTDIFGMLIGETLIHNRMNTTLSSLKEKVNTAQCPLPLFTCLHVKPDVSELMFADWVEFSPYEIGMAKYGTFMAPDLFGSKFFMGTVVKKYEENPLHFLMGVWGSAFSILFNRVLGVSGSQSRGSTMEEELENITTKHIVSNDSSDSDDESHEPKGTENEDAGSDYQSDNQASWIHRMIMALVSDSALFNTREGRAGKVHNFMLGLNLNTSYPLSPLSDFATQDSFDDDELDAAVADPDEFERIYEPLDVKSKKIHVVDSGLTFNLPYPLILRPQRGVDLIISFDFSARPSDSSPPFKELLLAEKWAKMNKLPFPKIDPYVFDREGLKECYVFKPKNPDMEKDCPTIIHFVLANINFRKYRAPGVPRETEEEKEIADFDIFDDPESPFSTFNFQYPNQAFKRLHDLMHFNTLNNIDVIKEAMVESIEYRRQNPSRCSVSLSNVEARRFFNKEFLSKPKA
  
Inhibitor
Name:
BDBM50136729
Synonyms:
CHEMBL140298 | {3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-pyridin-4-ylmethyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester
Type:
Small organic molecule
Emp. Form.:
C36H36N4O6S
Mol. Mass.:
652.759
SMILES:
COc1cc(ccc1Cc1cn(Cc2ccncc2)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: