| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Polyunsaturated fatty acid 5-lipoxygenase |
|---|
| Ligand | BDBM50211485 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_436352 (CHEMBL905752) |
|---|
| IC50 | 4000±n/a nM |
|---|
| Citation |  Franke, L; Schwarz, O; Müller-Kuhrt, L; Hoernig, C; Fischer, L; George, S; Tanrikulu, Y; Schneider, P; Werz, O; Steinhilber, D; Schneider, G Identification of natural-product-derived inhibitors of 5-lipoxygenase activity by ligand-based virtual screening. J Med Chem50:2640-6 (2007) [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
|
|
|
|---|
| BDBM50211485 |
|---|
| n/a |
|---|
| Name | BDBM50211485 |
|---|
| Synonyms: | 2-(2-methoxy-phenyl)-N-(3,5a,10-trimethyl-2-oxo-2,3,3a,4,5,5a,6,10,10a,10b-decahydro-1-oxa-7-thia-9-aza-dicyclopenta[a,g]naphthalen-8-yl)-acetamide | CHEMBL389289 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H30N2O4S |
|---|
| Mol. Mass. | 454.582 |
|---|
| SMILES | COc1ccccc1CC(=O)Nc1nc2C(C)C3C4OC(=O)C(C)C4CCC3(C)Cc2s1 |w:18.19,15.16,27.30,17.29,22.23,24.26| |
|---|
| Structure | 
|
|---|
Search and Browse
