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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50487330
Substrate
n/a
Meas. Tech.
ChEMBL_1969922 (CHEMBL4602740)
IC50
620±n/a nM
Citation
 Zhao, C; Rakesh, KP; Ravidar, L; Fang, WY; Qin, HL Pharmaceutical and medicinal significance of sulfur (S Eur J Med Chem 162:679-734 (2019) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
Cox-2 | Cox2 | Cyclooxygenase | PGH2_RAT | Ptgs2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
69173.51
Organism:
RAT
Description:
COX-2 0 RAT::P35355
Residue:
604
Sequence:
MLFRAVLLCAALALSHAANPCCSNPCQNRGECMSIGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRNSIMRYVLTSRSHLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGTNMMFAFFAQHFTHQFFKTDQKRGPGFTRGLGHGVDLNHVYGETLDRQHKLRLFQDGKLKYQVIGGEVYPPTVKDTQVDMIYPPHVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWDDERLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIASEFNTLYHWHPLLPDTFNIEDQEYTFKQFLYNNSILLEHGLAHFVESFTRQIAGRVAGGRNVPIAVQAVAKASIDQSREMKYQSLNEYRKRFSLKPYTSFEELTGEKEMAAELKALYHDIDAMELYPALLVEKPRPDAIFGETMVELGAPFSLKGLMGNPICSPQYWKPSTFGGEVGFRIINTASIQSLICNNVKGCPFASFNVQDPQPTKTATINASASHSRLDDINPTVLIKRRSTEL
  
Inhibitor
Name:
BDBM50487330
Synonyms:
CHEMBL4638767
Type:
Small organic molecule
Emp. Form.:
C24H16ClF3N2O3S
Mol. Mass.:
504.909
SMILES:
NS(=O)(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(cc2)C(F)(F)F)C=C1c1ccc(Cl)cc1 |c:27|
Structure:
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