Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase 2
LigandBDBM50094563
Substrate/Competitorn/a
Meas. Tech.ChEMBL_157848 (CHEMBL768586)
IC50 1.67±n/a nM
Citation Portevin, BTordjman, CPastoureau, PBonnet, JDe Nanteuil G, na 1,3-Diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives: a new series of potent and selective COX-2 inhibitors in which a sulfonyl group is not a structural requisite. J Med Chem43:4582-93 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 2
Name:Prostaglandin G/H synthase 2
Synonyms:Cox-2 | Cox2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | Glucocorticoid-regulated inflammatory cyclooxygenase | Gripghs | Macrophage activation-associated marker protein P71/73 | PES-2 | PGH synthase 2 | PGH2_MOUSE | PGHS-2 | PHS II | Pghs-b | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 | Ptgs2 | TIS10 protein | Tis10
Type:Protein
Mol. Mass.:69020.39
Organism:Mus musculus (Mouse)
Description:Q05769
Residue:604
Sequence:
MLFRAVLLCAALGLSQAANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFL
TRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSRSYLIDSPPTYNVHY
GYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKY
QVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCD
ILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQ
NRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRV
AGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKAL
YSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEV
GFKIINTASIQSLICNNVKGCPFTSFNVQDPQPTKTATINASASHSRLDDINPTVLIKRR
STEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50094563
n/a
NameBDBM50094563
Synonyms:1,3-Di-p-tolyl-4,5,6,7-tetrahydro-2H-isoindole | 1,3-dip-tolyl-4,5,6,7-tetrahydro-2H-isoindole | CHEMBL140991
TypeSmall organic molecule
Emp. Form.C22H23N
Mol. Mass.301.4247
SMILESCc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(C)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: