Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM50114095
Substrate
n/a
Meas. Tech.
ChEMBL_20 (CHEMBL615134)
IC50
350±n/a nM
Citation
 Whitman, S; Gezginci, M; Timmermann, BN; Holman, TR Structure-activity relationship studies of nordihydroguaiaretic acid inhibitors toward soybean, 12-human, and 15-human lipoxygenase. J Med Chem 45:2659-61 (2002) [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:
BDBM50114095
Synonyms:
4-[(2R,3S)-4-(4,5-dihydroxy-2-nitrophenyl)-2,3-dimethylbutyl]-5-nitrobenzene-1,2-diol | CHEMBL92359
Type:
Small organic molecule
Emp. Form.:
C18H20N2O8
Mol. Mass.:
392.36
SMILES:
C[C@@H](Cc1cc(O)c(O)cc1[N+]([O-])=O)[C@H](C)Cc1cc(O)c(O)cc1[N+]([O-])=O
Structure:
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