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TargetProstaglandin G/H synthase 1
LigandBDBM50075514
Substrate/Competitorn/a
Meas. Tech.ChEMBL_158733 (CHEMBL768740)
IC50 990±n/a nM
Citation Song, YConnor, DTDoubleday, RSorenson, RJSercel, ADUnangst, PCRoth, BDGilbertsen, RBChan, KSchrier, DJGuglietta, ABornemeier, DADyer, RD Synthesis, structure-activity relationships, and in vivo evaluations of substituted di-tert-butylphenols as a novel class of potent, selective, and orally active cyclooxygenase-2 inhibitors. 1. Thiazolone and oxazolone series. J Med Chem42:1151-60 (1999) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 1
Name:Prostaglandin G/H synthase 1
Synonyms:COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
Type:Enzyme
Mol. Mass.:68692.62
Organism:Homo sapiens (Human)
Description:P23219
Residue:599
Sequence:
MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFGLDRYQCDCTR
TGYSGPNCTIPGLWTWLRNSLRPSPSFTHFLLTHGRWFWEFVNATFIREMLMRLVLTVRS
NLIPSPPTYNSAHDYISWESFSNVSYYTRILPSVPKDCPTPMGTKGKKQLPDAQLLARRF
LLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQ
YQLRLFKDGKLKYQVLDGEMYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLY
ATLWLREHNRVCDLLKAEHPTWGDEQLFQTTRLILIGETIKIVIEEYVQQLSGYFLQLKF
DPELLFGVQFQYRNRIAMEFNHLYHWHPLMPDSFKVGSQEYSYEQFLFNTSMLVDYGVEA
LVDAFSRQIAGRIGGGRNMDHHILHVAVDVIRESREMRLQPFNEYRKRFGMKPYTSFQEL
VGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEIGAPFSLKGLLGNPICS
PEYWKPSTFGGEVGFNIVKTATLKKLVCLNTKTCPYVSFRVPDASQDDGPAVERPSTEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50075514
n/a
NameBDBM50075514
Synonyms:5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-mercapto-1,5-dihydro-imidazol-4-one | CHEMBL15945
TypeSmall organic molecule
Emp. Form.C18H24N2O2S
Mol. Mass.332.46
SMILESCC(C)(C)c1cc(\C=C2/NC(=S)NC2=O)cc(c1O)C(C)(C)C
Structure
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