Reaction Details  Report a problem with these data
Target
Cytosolic phospholipase A2
Ligand
BDBM50085990
Substrate
n/a
Meas. Tech.
ChEMBL_217519 (CHEMBL820842)
IC50
34±n/a nM
Citation
 Seno, K; Okuno, T; Nishi, K; Murakami, Y; Watanabe, F; Matsuura, T; Wada, M; Fujii, Y; Yamada, M; Ogawa, T; Okada, T; Hashizume, H; Kii, M; Hara, S; Hagishita, S; Nakamoto, S; Yamada, K; Chikazawa, Y; Ueno, M; Teshirogi, I; Ono, T; Ohtani, M Pyrrolidine inhibitors of human cytosolic phospholipase A(2). J Med Chem 43:1041-4 (2000) [PubMed]
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:
BDBM50085990
Synonyms:
CHEMBL268434 | N-{4-(Biphenyl-2-ylmethylsulfanyl)-1-[2-(4-fluoro-benzoyl)-benzoyl]-pyrrolidin-2-ylmethyl}-4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-benzamide
Type:
Small organic molecule
Emp. Form.:
C43H34FN3O5S2
Mol. Mass.:
755.876
SMILES:
OC1=NC(=O)C(S1)=Cc1ccc(cc1)C(=O)NC[C@@H]1C[C@H](CN1C(=O)c1ccccc1C(=O)c1ccc(F)cc1)SCc1ccccc1-c1ccccc1 |w:7.8,t:1|
Structure:
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