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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50148911
Substrate
n/a
Meas. Tech.
ChEMBL_550431 (CHEMBL1003453)
IC50
130000±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:
BDBM50148911
Synonyms:
3beta-hydroxyurs-12-en-28-oic acid | (3beta)-3-hydroxyurs-12-en-28-oic acid | Ursolic acid | malol | prunol | urson | CHEMBL169
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Structure:
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