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TargetProstaglandin G/H synthase (cyclooxygenase)
LigandBDBM11639
Substrate/Competitorn/a
Meas. Tech.ChEMBL_772485
IC50 7700±n/a nM
Citation Abdur Rahim, MPraveen Rao, PNBhardwaj, AKaur, JHuang, ZKnaus, EE Isomeric acetoxy analogs of celecoxib and their evaluation as cyclooxygenase inhibitors. Bioorg Med Chem Lett21:6074-80 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase (cyclooxygenase)
Name:Prostaglandin G/H synthase (cyclooxygenase)
Synonyms:Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1)
Type:Protein
Mol. Mass.:68868.60
Organism:Ovis aries (Sheep)
Description:n/a
Residue:600
Sequence:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCT
RTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVR
SNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRR
FLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLER
QYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLML
YATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLK
FDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVE
ALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQE
LTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPIC
SPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM11639
NameBDBM11639
Synonyms:4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662
TypeSmall organic molecule
Emp. Form.C17H14F3N3O2S
Mol. Mass.381.372
SMILESCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a