Reaction Details Report a problem with these data
Target
Cytosolic phospholipase A2
Ligand
BDBM50205539
Substrate
n/a
Meas. Tech.
ChEMBL_493930 (CHEMBL947342)
IC50
500±n/a nM
Citation
 Chen, L; Wang, W; Lee, KL; Shen, MW; Murphy, EA; Zhang, W; Xu, X; Tam, S; Nickerson-Nutter, C; Goodwin, DG; Clark, JD; McKew, JC Reactions of functionalized sulfonamides: application to lowering the lipophilicity of cytosolic phospholipase A2alpha inhibitors. J Med Chem 52:1156-71 (2009) [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:
BDBM50205539
Synonyms:
4-(2-(1-benzhydryl-5-chloro-2-(2-(2-phenylethylsulfonamido)ethyl)-1H-indol-3-yl)ethoxy)benzoic acid | 4-{2-[1-benzhydryl-5-chloro-2-(2-{[(2-phenylethyl)sulfonyl]-amino}ethyl)-1H-indol-3-yl]ethoxy}benzoic acid | CHEMBL376633
Type:
Small organic molecule
Emp. Form.:
C40H37ClN2O5S
Mol. Mass.:
693.25
SMILES:
OC(=O)c1ccc(OCCc2c(CCNS(=O)(=O)CCc3ccccc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Structure:
Search PDB for entries with ligand similarity: