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Target
Prostaglandin G/H synthase 1
Ligand
BDBM22335
Substrate
BDBM22319
Meas. Tech.
COX Inhibitor Screening Assay
pH
8±n/a
Temperature
310.15±n/a K
IC50
158000±n/a nM
Citation
 Geronikaki, AA; Lagunin, AA; Hadjipavlou-Litina, DI; Eleftheriou, PT; Filimonov, DA; Poroikov, VV; Alam, I; Saxena, AK Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition. J Med Chem 51:1601-9 (2008) [PubMed]  Article 
Target
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:
MSRQSISLRFPLLLLLLSPSPVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMDTKGKKQLPDAEFLSRRFLLRRKFIPDPQSTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL
  
Inhibitor
Name:
BDBM22335
Synonyms:
(5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-thiazol-2-ylamino)-4,5-dihydro-1,3-thiazol-4-one | thiazolidinone derivative, 1
Type:
Small organic molecule
Emp. Form.:
C13H9N3O2S2
Mol. Mass.:
303.359
SMILES:
Oc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:5.4,c:15|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22319
Synonyms:
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | Arachidonic acid | Arachidonic acid (AA) | CHEMBL15594 | [1-14C]Arachidonic acid
Type:
Unsaturated fatty acid
Emp. Form.:
C20H32O2
Mol. Mass.:
304.4669
SMILES:
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: