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Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM65361
Substrate
n/a
Meas. Tech.
ChEMBL_761394 (CHEMBL1817024)
IC50
>100000±n/a nM
Citation
 Kenyon, V; Rai, G; Jadhav, A; Schultz, L; Armstrong, M; Jameson, JB; Perry, S; Joshi, N; Bougie, JM; Leister, W; Taylor-Fishwick, DA; Nadler, JL; Holinstat, M; Simeonov, A; Maloney, DJ; Holman, TR Discovery of potent and selective inhibitors of human platelet-type 12- lipoxygenase. J Med Chem 54:5485-97 (2011) [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 | 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:
MPSYTVTVATGSQWFAGTDDYIYLSLVGSAGCSEKHLLDKPFYNDFERGAVDSYDVTVDEELGEIQLVRIEKRKYWLNDDWYLKYITLKTPHGDYIEFPCYRWITGDVEVVLRDGRAKLARDDQIHILKQHRRKELETRQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWNDFADFEKIFVKISNTISERVMNHWQEDLMFGYQFLNGCNPVLIRRCTELPEKLPVTTEMVECSLERQLSLEQEVQQGNIFIVDFELLDGIDANKTDPCTLQFLAAPICLLYKNLANKIVPIAIQLNQIPGDENPIFLPSDAKYDWLLAKIWVRSSDFHVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPIFKLLVAHVRFTIAINTKAREQLICECGLFDKANATGGGGHVQMVQRAMKDLTYASLCFPEAIKARGMESKEDIPYYFYRDDGLLVWEAIRTFTAEVVDIYYEGDQVVEEDPELQDFVNDVYVYGMRGRKSSGFPKSVKSREQLSEYLTVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCWHLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMARFRKNLEAIVSVIAERNKKKQLPYYYLSPDRIPNSVAI
  
Inhibitor
Name:
BDBM65361
Synonyms:
MLS000714362 | N-[(8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]propanamide | N-[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]propionamide | N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide | N-[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]propanamide | SMR000274342 | cid_3136123
Type:
Small organic molecule
Emp. Form.:
C17H16N2O2S
Mol. Mass.:
312.386
SMILES:
CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
Structure:
Search PDB for entries with ligand similarity: