Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPolyunsaturated fatty acid 5-lipoxygenase
LigandBDBM50331806
Substrate/Competitorn/a
Meas. Tech.ChEMBL_686760 (CHEMBL1290999)
IC50 7.9±n/a nM
Citation Li, LBerthelette, CChateauneuf, AOuellet, MSturino, CFWang, Z Potent and selective 5-LO inhibitor bearing benzothiophene pharmacophore: discovery of MK-5286. Bioorg Med Chem Lett20:7440-3 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Polyunsaturated fatty acid 5-lipoxygenase
Name:Polyunsaturated fatty acid 5-lipoxygenase
Synonyms:5-LO | 5-Lipo-oxygenase (5-LOX) | 5-Lipoxygenase (5-LO) | 5-Lipoxygenase (LOX) | 5-Lipoygenase | 5-lipoxygenase/FLAP | ALOX5 | Arachidonate 5-lipoxygenase | LOG5 | LOX5_HUMAN
Type:Enzyme
Mol. Mass.:77972.74
Organism:Homo sapiens (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:
MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGAVDSYDVTVDE
ELGEIQLVRIEKRKYWLNDDWYLKYITLKTPHGDYIEFPCYRWITGDVEVVLRDGRAKLA
RDDQIHILKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVL
NYSKAMENLFINRFMHMFQSSWNDFADFEKIFVKISNTISERVMNHWQEDLMFGYQFLNG
CNPVLIRRCTELPEKLPVTTEMVECSLERQLSLEQEVQQGNIFIVDFELLDGIDANKTDP
CTLQFLAAPICLLYKNLANKIVPIAIQLNQIPGDENPIFLPSDAKYDWLLAKIWVRSSDF
HVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPIFKLLVAHVRFTIAINTKAREQLICECG
LFDKANATGGGGHVQMVQRAMKDLTYASLCFPEAIKARGMESKEDIPYYFYRDDGLLVWE
AIRTFTAEVVDIYYEGDQVVEEDPELQDFVNDVYVYGMRGRKSSGFPKSVKSREQLSEYL
TVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCW
HLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMARFRKNLEAIVSVIAERNKKKQLPY
YYLSPDRIPNSVAI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50331806
n/a
NameBDBM50331806
Synonyms:CHEMBL1290649 | methyl 3-phenyl-6-((4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1H-1,2,3-triazol-1-yl)methyl)benzo[b]thiophene-2-carboxylate
TypeSmall organic molecule
Emp. Form.C23H20F3N3O3S
Mol. Mass.475.483
SMILESCCC(O)(c1cn(Cc2ccc3c(c(sc3c2)C(=O)OC)-c2ccccc2)nn1)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: