Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid 5-lipoxygenase
Ligand
BDBM50085173
Substrate
n/a
Meas. Tech.
ChEMBL_86312 (CHEMBL696464)
IC50
20±n/a nM
Citation
 Kolasa, T; Gunn, DE; Bhatia, P; Woods, KW; Gane, T; Stewart, AO; Bouska, JB; Harris, RR; Hulkower, KI; Malo, PE; Bell, RL; Carter, GW; Brooks, CD Heteroarylmethoxyphenylalkoxyiminoalkylcarboxylic acids as leukotriene biosynthesis inhibitors. J Med Chem 43:690-705 (2000) [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:
BDBM50085173
Synonyms:
2-{Adamantan-2-yl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-propionic acid | CHEMBL348939
Type:
Small organic molecule
Emp. Form.:
C30H32N2O4
Mol. Mass.:
484.5861
SMILES:
C\C(=N/OC(C1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O |TLB:4:5:12:8.14.9,7:8:12:5.6.11,THB:9:8:5:10.12.11,9:10:5:8.7.14,7:6:12:8.14.9,(19.63,-4.14,;19.63,-5.68,;18.3,-6.45,;16.96,-5.68,;15.64,-6.45,;15.63,-7.99,;14.46,-8.89,;12.72,-8.74,;13.97,-9.66,;14.39,-11.12,;16.01,-11.14,;14.87,-10.25,;17.24,-10.21,;16.82,-8.74,;15.22,-8.67,;14.32,-5.68,;14.32,-4.14,;12.97,-3.37,;11.65,-4.14,;10.33,-3.37,;9.01,-4.15,;7.68,-3.37,;7.66,-1.82,;6.33,-1.07,;4.99,-1.84,;3.66,-1.07,;2.33,-1.84,;2.33,-3.39,;3.66,-4.16,;4.99,-3.37,;6.33,-4.15,;11.65,-5.66,;12.97,-6.43,;20.94,-6.45,;20.97,-7.96,;22.29,-5.68,)|
Structure:
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