Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM22302
Substrate
n/a
Meas. Tech.
ChEMBL_1522060 (CHEMBL3627220)
Ki
21±n/a nM
Citation
 Eleftheriadis, N; Neochoritis, CG; Leus, NG; van der Wouden, PE; Dömling, A; Dekker, FJ Rational Development of a Potent 15-Lipoxygenase-1 Inhibitor with in Vitro and ex Vivo Anti-inflammatory Properties. J Med Chem 58:7850-62 (2015) [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:
BDBM22302
Synonyms:
N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4-pentylbenzene-1-sulfonamide | tryptamine sulfonamide, 37l
Type:
Small organic molecule
Emp. Form.:
C29H30N2O3S
Mol. Mass.:
486.625
SMILES:
CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
Structure:
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