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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50242349
Substrate
n/a
Meas. Tech.
ChEMBL_508956 (CHEMBL1005508)
IC50
7100±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:
BDBM50242349
Synonyms:
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic acid | (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid | (all-Z)-5,8,11,14,17-eicosapentaenoic acid | 5,8,11,14,17-EICOSAPENTAENOIC ACID | 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid | CHEMBL460026 | EPA | ICOSAPENT ETHYL | Icosapent | Timnodonic acid | all-cis-icosa-5,8,11,14,17-pentaenoic acid | cis-5,8,11,14,17-eicosapentaenoic acid | cis-Delta(5,8,11,14,17)-eicosapentaenoic acid | omega-3-Eicosapentaenoic Acid | vascepa
Type:
Small organic molecule
Emp. Form.:
C20H30O2
Mol. Mass.:
302.451
SMILES:
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Structure:
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