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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50425314
Substrate
n/a
Meas. Tech.
ChEMBL_933842 (CHEMBL2321396)
IC50
1010±n/a nM
Citation
 Kablaoui, N; Patel, S; Shao, J; Demian, D; Hoffmaster, K; Berlioz, F; Vazquez, ML; Moore, WM; Nugent, RA Novel benzoxazole inhibitors of mPGES-1. Bioorg Med Chem Lett 23:907-11 (2013) [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:
BDBM50425314
Synonyms:
CHEMBL2315877
Type:
Small organic molecule
Emp. Form.:
C18H22ClN3O2
Mol. Mass.:
347.84
SMILES:
Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCC1
Structure:
Search PDB for entries with ligand similarity: