Reaction Details Report a problem with these data
Target
Lipoxygenase
Ligand
BDBM22368
Substrate
BDBM22231
Meas. Tech.
COX Inhibitor Screening Assay
IC50
>10000±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:
BDBM22368
Synonyms:
1,3-Diarylprop-2-yn-1-one, 26c | 3-(4-methanesulfonylphenyl)-1-(3-nitrophenyl)prop-2-yn-1-one
Type:
Small organic molecule
Emp. Form.:
C16H11NO5S
Mol. Mass.:
329.327
SMILES:
CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
Structure:
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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: