| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Polyunsaturated fatty acid 5-lipoxygenase |
|---|
| Ligand | BDBM50394758 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_859396 (CHEMBL2167302) |
|---|
| IC50 | 45000±n/a nM |
|---|
| Citation |  Wu, Y; He, C; Gao, Y; He, S; Liu, Y; Lai, L Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. J Med Chem55:2597-605 (2012) [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
|
|
|
|---|
| BDBM50394758 |
|---|
| n/a |
|---|
| Name | BDBM50394758 |
|---|
| Synonyms: | CHEMBL1555743 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H19N3O3S |
|---|
| Mol. Mass. | 441.502 |
|---|
| SMILES | COC(=O)c1ccc(NC(=S)NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1 |
|---|
| Structure | 
|
|---|
Search and Browse
