| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 1 |
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| Ligand | BDBM22956 |
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| Substrate/Competitor | BDBM22319 |
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| Meas. Tech. | Time-Dependent Inhibition Assay |
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| pH | 8±n/a |
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| Temperature | 310.15±n/a K |
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| IC50 | 2600±n/a nM |
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| Citation |  Kalgutkar, AS; Crews, BC; Rowlinson, SW; Marnett, AB; Kozak, KR; Remmel, RP; Marnett, LJ Biochemically based design of cyclooxygenase-2 (COX-2) inhibitors: facile conversion of nonsteroidal antiinflammatory drugs to potent and highly selective COX-2 inhibitors. Proc Natl Acad Sci U S A97:925-30 (2000) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Prostaglandin G/H synthase 1 |
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| Name: | Prostaglandin G/H synthase 1 |
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| Synonyms: | COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) |
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| Type: | Protein |
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| Mol. Mass.: | 68868.60 |
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| Organism: | Ovis aries (Sheep) |
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| Description: | n/a |
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| Residue: | 600 |
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| Sequence: | MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVR
SNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRR
FLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLML
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
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| BDBM22956 |
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| BDBM22319 |
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| Name | BDBM22956 |
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| Synonyms: | 4-(methylsulfanyl)phenyl 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetate | CHEMBL96057 | Indomethacin derivative, 9 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H22ClNO4S |
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| Mol. Mass. | 479.975 |
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| SMILES | COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(SC)cc3)c2c1 |
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| Structure | 
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