Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2 [E165G]
Ligand
BDBM11639
Substrate
n/a
Meas. Tech.
In vitro Cyclooxygenase Inhibition Assay
IC50
1.33e+3±n/a nM
Citation
 Abdellatif, KR; Abdelgawad, MA; Elshemy, HA; Alsayed, SS Design, synthesis and biological screening of new 4-thiazolidinone derivatives with promising COX-2 selectivity, anti-inflammatory activity and gastric safety profile. Bioorg Chem 64:1-12 (2016) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2 [E165G]
Synonyms:
COX2 | Cyclooxygenase-2 (COX-2) | PGH2_HUMAN | PTGS2
Type:
Protein
Mol. Mass.:
68932.84
Organism:
Homo sapiens (Human)
Description:
P35354[E165G]
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVGKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM11639
Synonyms:
4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662
Type:
Small organic molecule
Emp. Form.:
C17H14F3N3O2S
Mol. Mass.:
381.372
SMILES:
Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: