Target
Prostaglandin G/H synthase 2
Ligand
BDBM22980
Substrate
BDBM22319
IC50
400±n/a nM
Citation
 Kalgutkar, ASCrews, BCRowlinson, SWMarnett, ABKozak, KRRemmel, RPMarnett, LJ Biochemically based design of cyclooxygenase-2 (COX-2) inhibitors: facile conversion of nonsteroidal antiinflammatory drugs to potent and highly selective COX-2 inhibitors. Proc Natl Acad Sci U S A 97:925-30 (2000) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:
Enzyme
Mol. Mass.:
69003.89
Organism:
Homo sapiens (Human)
Description:
Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI).
Residue:
604
Sequence:
MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFLTRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADYGYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKYQIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQNRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRVAGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEALYGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEVGFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM22980
Synonyms:
2-({2-[(2,6-dichloro-3-methylphenyl)amino]phenyl}formamido)acetic acid | CHEMBL146703 | Meclofenamic acid derivative, 32
Type:
Small organic molecule
Emp. Form.:
C16H14Cl2N2O3
Mol. Mass.:
353.2
SMILES:
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(O)=O)c1Cl
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22319
Synonyms:
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | Arachidonic acid | Arachidonic acid (AA) | CHEMBL15594 | [1-14C]Arachidonic acid
Type:
Unsaturated fatty acid
Emp. Form.:
C20H32O2
Mol. Mass.:
304.4669
SMILES:
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: