Reaction Details |
| Report a problem with these data |
Target | Prostaglandin G/H synthase 1 |
---|
Ligand | BDBM22369 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_158762 (CHEMBL772924) |
---|
IC50 | >10000±n/a nM |
---|
Citation | Palomer, A; Cabré, F; Pascual, J; Campos, J; Trujillo, MA; Entrena, A; Gallo, MA; García, L; Mauleón, D; Espinosa, A Identification of novel cyclooxygenase-2 selective inhibitors using pharmacophore models. J Med Chem45:1402-11 (2002) [PubMed] |
---|
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
|
|
|
BDBM22369 |
---|
n/a |
---|
Name | BDBM22369 |
Synonyms: | 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one | CHEMBL122 | MK 0966 | Rofecoxib | US11478464, Compound Rofecoxib | US11786535, Compound Rofecoxib |
Type | Small organic molecule |
Emp. Form. | C17H14O4S |
Mol. Mass. | 314.356 |
SMILES | CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| |
Structure |
|