Reaction Details Report a problem with these data
Target
Lipoxygenase
Ligand
BDBM22354
Substrate
BDBM22231
Meas. Tech.
COX Inhibitor Screening Assay
IC50
300±n/a nM
Citation
 Rao, PN; Chen, QH; Knaus, EE Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases. J Med Chem 49:1668-83 (2006) [PubMed]  Article 
Target
Name:
Lipoxygenase
Synonyms:
5-Lipoxygenase | 5-Lipoxygenase (5-LO)
Type:
Enzyme
Mol. Mass.:
97294.59
Organism:
Solanum tuberosum (potato)
Description:
n/a
Residue:
864
Sequence:
MNIGQIMGGRELFGGHDDSKKVKGTVVMMKKNALDFTDLAGSLTDIAFDVLGQKVSFQLISSVQGDPTNGLQGKHSNPAYLENSLFTLTPLTAGSETAFGVTFDWNEEFGVPGAFIIKNTHINEFFLKSLTLEDVPNHGKVHFDCNSWVYPSFRYKSDRIFFANQPYLPSKTPELLRKYRENELLTLRGDGTGKREAWDRIYDYDIYNDLGNPDQGKENVRTTLGGSAEYPYPRRGRTGRPPTRTDPKSESRIPLLLSLDIYVPRDERFGHLKMSDFLTYALKSIVQFILPELHALFDGTPNEFDSFEDVLRLYEGGIKLPQGPLFKALTAAIPLEMIKELLRTDGEGILRFPTPLVIKDSKTAWRTDEEFAREMLAGVNPIIISRLQEFPPKSKLDPEAYGNQNSTITAEHIEDKLDGLTVDEAMNNNKLFILNHHDLLIPYLRRINTTITKSYASRTLLFLQDNGSLKPLAIELSLPHPDGDQFGVTSKVYTPSDQGVESSIWQLAKAYVAVNDAGVHQLISHWLNTHAVIEPFVIATNRQLSVLHPIHKLLYPHFRDTMNINASARQILINAGGVLESTVFQSKFALEMSAVVYKDWVFPDQALPADLVKRGVAVEDSSSPHGVRLLIEDYPYAVDGLEIWSAIKSWVTDYCSFYYGSDEEILKDNELQAWWKELREVGHGDKKNEPWWPEMETPQELIDSCTTIIWIASALHAAVNFGQYPYAGYLPNRPTVSRRFMPEPGTPEYEELKKNPDKAFLKTITAQLQTLLGVSLVEILSRHTTDEIYLGQRESPEWTKDKEPLAAFDKFGKKLTDIEKQIIQRNGDNILTNRSGPVNAPYTLLFPTSEGGLTGKGIPNSVSI
  
Inhibitor
Name:
BDBM22354
Synonyms:
1,3-Diarylprop-2-yn-1-one, 13k | 1-(4-hydroxyphenyl)-3-(4-methanesulfonylphenyl)prop-2-yn-1-one | CHEMBL194297
Type:
Small organic molecule
Emp. Form.:
C16H12O4S
Mol. Mass.:
300.329
SMILES:
CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22231
Synonyms:
(9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476 | Linoleic Acid | Linoleic acid (LA)
Type:
Unsaturated fatty acid
Emp. Form.:
C18H32O2
Mol. Mass.:
280.4455
SMILES:
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: