Reaction Details Report a problem with these data
Target
Cytosolic phospholipase A2
Ligand
BDBM50292789
Substrate
n/a
Meas. Tech.
ChEMBL_493930 (CHEMBL947342)
IC50
20±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:
BDBM50292789
Synonyms:
4-[3-(5-Chloro-1-(diphenylmethyl)-2-{2-[({2-[(4-methylpiperazin-1-yl)methyl]benzyl}sulfonyl)amino]ethyl}-1H-indol-3-yl)propyl]benzoicAcid | CHEMBL505593
Type:
Small organic molecule
Emp. Form.:
C46H49ClN4O4S
Mol. Mass.:
789.424
SMILES:
CN1CCN(Cc2ccccc2CS(=O)(=O)NCCc2c(CCCc3ccc(cc3)C(O)=O)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: