Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2
Ligand
BDBM50240347
Substrate
n/a
Meas. Tech.
ChEMBL_508956 (CHEMBL1005508)
IC50
12000±n/a nM
Citation
 Ringbom, T; Huss, U; Stenholm, A; Flock, S; Skattebøl, L; Perera, P; Bohlin, L Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod 64:745-9 (2001) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68976.98
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
603
Sequence:
MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYSYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQMINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVAGRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALYGDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVGFKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50240347
Synonyms:
(9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid | (Z,Z,Z)-9,12,15-octadecatrienoic acid | 9-cis,12-cis,15-cis-octadecatrienoic acid | ALA | CHEMBL8739 | all-cis-9,12,15-octadecatrienoic acid | alpha-linolenic acid | cid_5280934 | cis,cis,cis-9,12,15-octadecatrienoic acid | cis-Delta(9,12,15)-octadecatrienoic acid | linolenic acid
Type:
Small organic molecule
Emp. Form.:
C18H30O2
Mol. Mass.:
278.4296
SMILES:
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: