Reaction Details Report a problem with these data
Target
Prostaglandin G/H synthase 2 [18-604,R106Q]
Ligand
BDBM50312668
Substrate
n/a
Meas. Tech.
COX Enzyme Inhibition Assay (Table 2)
IC50
9e+1±n/a nM
Citation
 Uddin, MJ; Crews, BC; Xu, S; Ghebreselasie, K; Daniel, CK; Kingsley, PJ; Banerjee, S; Marnett, LJ Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. ACS Chem Biol 11:3052-3060 (2016) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2 [18-604,R106Q]
Synonyms:
Cox-2 | Cox2 | Cyclooxygenase-2 mutant (R120Q) | PGH2_MOUSE | Pghs-b | Ptgs2 | Tis10
Type:
Protein
Mol. Mass.:
67231.13
Organism:
Mus musculus (Mouse)
Description:
Sequence based on 4OTJ
Residue:
587
Sequence:
ANPCCSNPCQNRGECMSTGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRSLIMKYVLTSQSYLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGSNMMFAFFAQHFTHQFFKTDHKRGPGFTRGLGHGVDLNHIYGETLDRQHKLRLFKDGKLKYQVIGGEVYPPTVKDTQVEMIYPPHIPENLQFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYSFKQFLYNNSILLEHGLTQFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYSDIDVMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFKIINTASIQSLICNNVKGCPFTSFNVQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL
  
Inhibitor
Name:
BDBM50312668
Synonyms:
CHEMBL1076638 | Chemocoxib A (12) | N-{(Succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Type:
Small organic molecule
Emp. Form.:
C49H50ClN3O13
Mol. Mass.:
924.387
SMILES:
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCNC(=O)CCC(=O)O[C@H]3[C@@H]4COC(=O)[C@H]4[C@@H](c4cc(OC)c(OC)c(OC)c4)c4cc5OCOc5cc34)c2c1 |r|
Structure:
Search PDB for entries with ligand similarity: