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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50377904
Substrate
n/a
Meas. Tech.
ChEMBL_551369 (CHEMBL1008495)
IC50
73000±n/a nM
Citation
 Larsson, J; Gottfries, J; Bohlin, L; Backlund, A Expanding the ChemGPS chemical space with natural products. J Nat Prod 68:985-91 (2005) [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:
BDBM50377904
Synonyms:
CHEMBL464610
Type:
Small organic molecule
Emp. Form.:
C40H36O12
Mol. Mass.:
708.7066
SMILES:
[#6]\[#6](-[#6])=[#6]/[#6]C12[#8]-c3cc(-[#8])ccc3C1([#8])[#8]-c1cc(-[#8])c(-[#6@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@H](-[#6@@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])c1-[#6]2=O |r,t:25|
Structure:
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