Target
Prostaglandin G/H synthase 2
Ligand
BDBM50355030
Substrate
n/a
Meas. Tech.
ChEMBL_772567 (CHEMBL1839542)
IC50
1700±n/a nM
Citation
 Abdur Rahim, MPraveen Rao, PNBhardwaj, AKaur, JHuang, ZKnaus, EE Isomeric acetoxy analogs of celecoxib and their evaluation as cyclooxygenase inhibitors. Bioorg Med Chem Lett 21:6074-80 (2011) [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:
BDBM50355030
Synonyms:
CHEMBL1835475
Type:
Small organic molecule
Emp. Form.:
C17H14F3N3O3S
Mol. Mass.:
397.372
SMILES:
Cc1ccc(cc1O)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: