Reaction Details Report a problem with these data
Target
Cytosolic phospholipase A2
Ligand
BDBM50226793
Substrate
n/a
Meas. Tech.
ChEMBL_493930 (CHEMBL947342)
IC50
10±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:
BDBM50226793
Synonyms:
4-(3-(1-benzhydryl-5-chloro-2-(2-((2,6-dimethylphenyl)methylsulfonamido)ethyl)-1H-indol-3-yl)propyl)benzoic acid | 4-(3-(1-benzhydryl-5-chloro-2-(2-((2,6-dimethylphenyl)methylsulfonamido)ethyl)indolin-3-yl)propyl)benzoic acid | 4-{3-[5-Chloro-2-(2-{[(2,6-dimethylbenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic Acid | CHEMBL404529
Type:
Small organic molecule
Emp. Form.:
C42H41ClN2O4S
Mol. Mass.:
705.304
SMILES:
Cc1cccc(C)c1CS(=O)(=O)NCCc1c(CCCc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: