Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM50323928
Substrate
n/a
Meas. Tech.
ChEMBL_647214 (CHEMBL1217355)
IC50
140000±n/a nM
Citation
 Longeon, A; Copp, BR; Roué, M; Dubois, J; Valentin, A; Petek, S; Debitus, C; Bourguet-Kondracki, ML New bioactive halenaquinone derivatives from South Pacific marine sponges of the genus Xestospongia. Bioorg Med Chem 18:6006-11 (2010) [PubMed]  Article 
Target
Name:
Phospholipase A2
Synonyms:
Allergen Api m I | Allergen=Api m 1 | PA2_APIME | Phosphatidylcholine 2-acylhydrolase | Phospholipase A2 (Bee)
Type:
PROTEIN
Mol. Mass.:
19061.47
Organism:
Apis mellifera
Description:
ChEMBL_1277435
Residue:
167
Sequence:
MQVVLGSLFLLLLSTSHGWQIRDRIGDNELEERIIYPGTLWCGHGNKSSGPNELGRFKHTDACCRTHDMCPDVMSAGESKHGLTNTASHTRLSCDCDDKFYDCLKNSADTISSYFVGKMYFNLIDTKCYKLEHPVTGCGERTEGRCLHYTVDKSKPKVYQWFDLRKY
  
Inhibitor
Name:
BDBM50323928
Synonyms:
3-Ketoadociaquinone A | CHEMBL1214365
Type:
Small organic molecule
Emp. Form.:
C22H15NO7S
Mol. Mass.:
437.422
SMILES:
C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C4C(=NCCS4(=O)=O)C(=O)c3cc21 |r,c:21|
Structure:
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