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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50194429
Substrate
n/a
Meas. Tech.
ChEMBL_551369 (CHEMBL1008495)
IC50
800±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:
BDBM50194429
Synonyms:
(-)-parthenolide | (1aR,7aS,10aS,10bS,Z)-1a,5-dimethyl-8-methylene-2,3,6,7,7a,8-hexahydro-11-oxa-bicyclo[8.1.0]undeca-1(10),4-dieno[9,8-b]furan-9(1aH,10aH,10bH)-one | (Z)-(1S,2S,4R,11S)-4,8-Dimethyl-12-methylene-3,14-dioxa-tricyclo[9.3.0.0*2,4*]tetradec-7-en-13-one | CHEMBL540445 | PARTHENOLIDE
Type:
Small organic molecule
Emp. Form.:
C15H20O3
Mol. Mass.:
248.3175
SMILES:
C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1|
Structure:
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