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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50088570
Substrate
n/a
Meas. Tech.
ChEMBL_43842 (CHEMBL658504)
IC50
27±n/a nM
Citation
 Palomer, A; Pérez, JJ; Navea, S; Llorens, O; Pascual, J; García, L; Mauleón, D Modeling cyclooxygenase inhibition. Implication of active site hydration on the selectivity of ketoprofen analogues. J Med Chem 43:2280-4 (2000) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Prostaglandin-endoperoxide synthase 2 | PHS II | Prostaglandin H2 synthase 2 | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | PGH synthase 2 | PGHS-2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | PGH2_HUMAN | PTGS2 | COX2 | Prostaglandin E synthase/G/H synthase 2 | Cyclooxygenase
Type:
Enzyme
Mol. Mass.:
69003.89
Organism:
Human
Description:
Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50088570
Synonyms:
2-(3-Benzoyl-phenyl)-propionic acid | (S)-2-(3-benzoylphenyl)propanoic acid | CHEMBL75435 | (S)-2-(3-Benzoyl-phenyl)-propionic acid | KETOPROFEN
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O
Structure:
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