Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM50524413
Substrate
n/a
Meas. Tech.
ChEMBL_1893114 (CHEMBL4395035)
IC50
140±n/a nM
Citation
 van der Vlag, R; Guo, H; Hapko, U; Eleftheriadis, N; Monjas, L; Dekker, FJ; Hirsch, AKH A combinatorial approach for the discovery of drug-like inhibitors of 15-lipoxygenase-1. Eur J Med Chem 174:45-55 (2019) [PubMed]  Article 
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:
BDBM50524413
Synonyms:
CHEMBL4521335
Type:
Small organic molecule
Emp. Form.:
C21H18ClN5O3S
Mol. Mass.:
455.917
SMILES:
CCOC(=O)c1[nH]c2cc(Cl)ccc2c1\C=N\NC(=O)CSc1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity: