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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50331902
Substrate
n/a
Meas. Tech.
ChEMBL_687200 (CHEMBL1291825)
IC50
3290±n/a nM
Citation
 Lai, Y; Ma, L; Huang, W; Yu, X; Zhang, Y; Ji, H; Tian, J Synthesis and biological evaluation of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitors. Bioorg Med Chem Lett 20:7349-53 (2010) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX-2 | COX2 | PGH synthase 2 | PGH2_RABIT | PGHS-2 | PHS II | PTGS2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2
Type:
PROTEIN
Mol. Mass.:
69015.55
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_687200
Residue:
604
Sequence:
MLARALLLCAAVALSHAANPCCSNPCQNRGVCMTMGFDQYKCDCTRTGFYGENCSTPEFLTRIKLLLKPTPDTVHYILTHFKGVWNIVNSIPFLRNSIMKYVLTSRSHMIDSPPTYNVHYNYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGKKELPDSKDVVEKLLLRRKFIPDPQGTNMMFAFFAQHFTHQFFKTDLKRGPAFTKGLGHGVDLNHIYGETLDRQHKLRLFKDGKMKYQVIDGEVYPPTVKDTQVEMIYPPHIPAHLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWDDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDTFQIDDQQYNYQQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPPAVQKVAKASIDQSRQMKYQSLNEYRKRFLLKPYESFEELTGEKEMAAELEALYGDIDAVELYPALLVERPRPDAIFGESMVEMGAPFSLKGLMGNPICSPNYWKPSTFGGEVGFKIVNTASIQSLICNNVKGCPFTSFNVPDPQLTKTVTINASASHSRLEDINPTVLLKGRSTEL
  
Inhibitor
Name:
BDBM50331902
Synonyms:
CHEMBL1289342 | E-5-Nitro-3-[[4-(Methylsulfonyl)phenyl]methylene]-indolin-2-one
Type:
Small organic molecule
Emp. Form.:
C16H12N2O5S
Mol. Mass.:
344.342
SMILES:
CS(=O)(=O)c1ccc(\C=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: