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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50009859
Substrate
n/a
Meas. Tech.
ChEMBL_550431 (CHEMBL1003453)
IC50
1030000±n/a nM
Citation
 Ringbom, T; Segura, L; Noreen, Y; Perera, P; Bohlin, L Ursolic acid from Plantago major, a selective inhibitor of cyclooxygenase-2 catalyzed prostaglandin biosynthesis. J Nat Prod 61:1212-5 (1998) [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:
BDBM50009859
Synonyms:
(RS)-ibuprofen | CHEMBL521 | 2-(4-isobutylphenyl)propanoic acid | (+-)-p-isobutylhydratropic acid | (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid | alpha-(4-isobutylphenyl)propionic acid | 4-isobutylhydratropic acid | Advil | 2-[4-(2-methylpropyl)phenyl]propanoic acid | alpha-(p-isobutylphenyl)propionic acid | Motrin | (+-)-ibuprofen | (4-isobutylphenyl)-alpha-methylacetic acid | (+-)-2-(p-isobutylphenyl)propionic acid | IBUPROFEN LYSINE | Ibuprofen | Brufen | Ibuprofen (1)
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O
Structure:
Search PDB for entries with ligand similarity: