Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM24562
Substrate
BDBM22319
Meas. Tech.
Determination of 5-LO Product Formation in Intact Cells (EC50/IC50)
pH
7.4000±n/a
Temperature
310.1500±n/a K
EC50
1700±n/a nM
Citation
 Werz, O; Greiner, C; Koeberle, A; Hoernig, C; George, S; Popescu, L; Syha, I; Schubert-Zsilavecz, M; Steinhilber, D Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid. J Med Chem 51:5449-53 (2008) [PubMed]  Article 
Target
Name:
Polyunsaturated fatty acid 5-lipoxygenase
Synonyms:
5-LO | 5-Lipo-oxygenase (5-LOX) | 5-Lipoxygenase (5-LO) | 5-Lipoxygenase (LOX) | 5-Lipoygenase | LOX5_HUMAN | ALOX5 | LOG5 | 5-lipoxygenase/FLAP | Arachidonate 5-lipoxygenase
Type:
Enzyme
Mol. Mass.:
77972.74
Organism:
Human
Description:
Recombinant protein was purified from E. coli lysate. After ammonium sulfate precipitation and subsequent steps, the supernatant (S100) was used for 5-LO activity assay.
Residue:
674
Sequence:
MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGAVDSYDVTVDEELGEIQLVRIEKRKYWLNDDWYLKYITLKTPHGDYIEFPCYRWITGDVEVVLRDGRAKLARDDQIHILKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWNDFADFEKIFVKISNTISERVMNHWQEDLMFGYQFLNGCNPVLIRRCTELPEKLPVTTEMVECSLERQLSLEQEVQQGNIFIVDFELLDGIDANKTDPCTLQFLAAPICLLYKNLANKIVPIAIQLNQIPGDENPIFLPSDAKYDWLLAKIWVRSSDFHVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPIFKLLVAHVRFTIAINTKAREQLICECGLFDKANATGGGGHVQMVQRAMKDLTYASLCFPEAIKARGMESKEDIPYYFYRDDGLLVWEAIRTFTAEVVDIYYEGDQVVEEDPELQDFVNDVYVYGMRGRKSSGFPKSVKSREQLSEYLTVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCWHLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMARFRKNLEAIVSVIAERNKKKQLPYYYLSPDRIPNSVAI
  
Inhibitor
Name:
BDBM24562
Synonyms:
ethyl 2-{[4-chloro-6-(quinolin-6-yloxy)pyrimidin-2-yl]sulfanyl}octanoate | Pirinixic acid-based compound, 6f
Type:
Small organic molecule
Emp. Form.:
C23H26ClN3O3S
Mol. Mass.:
459.14
SMILES:
CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)OCC
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM22319
Synonyms:
[1-14C]Arachidonic acid | (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | CHEMBL15594 | Arachidonic acid | Arachidonic acid (AA)
Type:
Unsaturated fatty acid
Emp. Form.:
C20H32O2
Mol. Mass.:
304.24
SMILES:
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
Structure:
Search PDB for entries with ligand similarity: