Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCyclooxygenase
LigandBDBM17638
Substrate/Competitorn/a
Meas. Tech.ChEMBL_158743
IC50 200±n/a nM
Citation Prasit, PWang, ZBrideau, CChan, CCCharleson, SCromlish, WEthier, DEvans, JFFord-Hutchinson, AWGauthier, JYGordon, RGuay, JGresser, MKargman, SKennedy, BLeblanc, YLéger, SMancini, JO'Neill, GPOuellet, MPercival, MDPerrier, HRiendeau, DRodger, IZamboni, R The discovery of rofecoxib, [MK 966, Vioxx, 4-(4'-methylsulfonylphenyl)-3-phenyl-2(5H)-furanone], an orally active cyclooxygenase-2-inhibitor. Bioorg Med Chem Lett9:1773-8 (1999) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cyclooxygenase
Name:Cyclooxygenase
Synonyms:COX-1 | Cyclooxygenase-1 | 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:
BDBM17638
NameBDBM17638
Synonyms:2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | CHEMBL6 | Indocin | Indomethacin | US9271961, Indomethacin | indometacin
TypeSmall organic molecule
Emp. Form.C19H16ClNO4
Mol. Mass.357.788
SMILESCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a