Reaction Details
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Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM50206318
Substrate
n/a
Meas. Tech.
ChEMBL_1628730 (CHEMBL3871356)
IC50
25900±n/a nM
Citation
Eleftheriadis, N; Poelman, H; Leus, NGJ; Honrath, B; Neochoritis, CG; Dolga, A; Dömling, A; Dekker, FJ Design of a novel thiophene inhibitor of 15-lipoxygenase-1 with both anti-inflammatory and neuroprotective properties. Eur J Med Chem 122:786-801 (2016) [PubMed] Article More Info.:
Target
Name:
Polyunsaturated fatty acid lipoxygenase ALOX15
Synonyms:
15-Lipoxygenase-1 (15-LOX-1) | ALOX15 | Arachidonate 15-lipoxygenase | Arachidonate 15-lipoxygenase-1 | LOG15 | LOX15_HUMAN | Reticulocyte 15-lipoxygenase-1 | Sphingosine 1-phosphate receptor 1 (S1P1)
Type:
Protein
Mol. Mass.:
74804.05
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
662
Sequence:
MGLYRIRVSTGASLYAGSNNQVQLWLVGQHGEAALGKRLWPARGKETELKVEVPEYLGPLLFVKLRKRHLLKDDAWFCNWISVQGPGAGDEVRFPCYRWVEGNGVLSLPEGTGRTVGEDPQGLFQKHREEELEERRKLYRWGNWKDGLILNMAGAKLYDLPVDERFLEDKRVDFEVSLAKGLADLAIKDSLNVLTCWKDLDDFNRIFWCGQSKLAERVRDSWKEDALFGYQFLNGANPVVLRRSAHLPARLVFPPGMEELQAQLEKELEGGTLFEADFSLLDGIKANVILCSQQHLAAPLVMLKLQPDGKLLPMVIQLQLPRTGSPPPPLFLPTDPPMAWLLAKCWVRSSDFQLHELQSHLLRGHLMAEVIVVATMRCLPSIHPIFKLIIPHLRYTLEINVRARTGLVSDMGIFDQIMSTGGGGHVQLLKQAGAFLTYSSFCPPDDLADRGLLGVKSSFYAQDALRLWEIIYRYVEGIVSLHYKTDVAVKDDPELQTWCREITEIGLQGAQDRGFPVSLQARDQVCHFVTMCIFTCTGQHASVHLGQLDWYSWVPNAPCTMRLPPPTTKDATLETVMATLPNFHQASLQMSITWQLGRRQPVMVAVGQHEEEYFSGPEPKAVLKKFREELAALDKEIEIRNAKLDMPYEYLRPSVVENSVAI
Inhibitor
Name:
BDBM50206318
Synonyms:
CHEMBL3952264
Type:
Small organic molecule
Emp. Form.:
C17H28N2OS
Mol. Mass.:
308.482
SMILES:
[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cc(sc1-[#7])-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Structure:
