Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase (cyclooxygenase)
LigandBDBM24565
Substrate/Competitorn/a
Meas. Tech.ChEMBL_560977
IC50>10±n/a nM
Citation Koeberle AZettl HGreiner CWurglics MSchubert-Zsilavecz MWerz O Pirinixic acid derivatives as novel dual inhibitors of microsomal prostaglandin E2 synthase-1 and 5-lipoxygenase. J Med Chem 51:8068-76 (2008) [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:
BDBM24565
n/a
NameBDBM24565
Synonyms:2-({4-chloro-6-[(quinolin-6-ylmethyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid | CHEMBL518643 | Pirinixic acid-based compound, 6g
TypeSmall organic molecule
Emp. Form.C22H25ClN4O2S
Mol. Mass.444.978
SMILESCCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: