Reaction Details Report a problem with these data
Target
Phospholipase A2
Ligand
BDBM50336353
Substrate
n/a
Meas. Tech.
ChEMBL_716743 (CHEMBL1670625)
IC50
34400±n/a nM
Citation
 Wang, J; Bourguet-Kondracki, ML; Longeon, A; Dubois, J; Valentin, A; Copp, BR Chemical and biological explorations of the electrophilic reactivity of the bioactive marine natural product halenaquinone with biomimetic nucleophiles. Bioorg Med Chem Lett 21:1261-4 (2011) [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:
BDBM50336353
Synonyms:
(S)-4-((3,7-dimethylocta-2,6-dienylamino)methylene)-5-hydroxy-12b-methyl-1,2-dihydrotetraphene-3,6,8,11(4H,12bH)-tetraone | CHEMBL1668041
Type:
Small organic molecule
Emp. Form.:
C30H31NO5
Mol. Mass.:
485.5708
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6]=[#6]-1-[#6]2-[#6](=O)-[#6](=O)-c3cc4-[#6](=O)-[#6]=[#6]-[#6](=O)-c4cc3[C@]2([#6])[#6]-[#6]-[#6]-1=O |r,w:11.10,c:23|
Structure:
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