Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetProstaglandin G/H synthase 1
LigandBDBM50528483
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1905143 (CHEMBL4407501)
IC50 39200±n/a nM
Citation Ju, ZSu, MHong, JLa Kim, EMoon, HRChung, HYKim, SJung, JH Design of balanced COX inhibitors based on anti-inflammatory and/or COX-2 inhibitory ascidian metabolites. Eur J Med Chem180:86-98 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Prostaglandin G/H synthase 1
Name:Prostaglandin G/H synthase 1
Synonyms:COX1 | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_SHEEP | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase)
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:
BDBM50528483
n/a
NameBDBM50528483
Synonyms:CHEMBL4448450
TypeSmall organic molecule
Emp. Form.C24H17ClN4O
Mol. Mass.412.871
SMILESClc1ccc(Cn2cc(C(=O)N\N=C\c3ccc(cc3)C#N)c3ccccc23)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: