Reaction Details Report a problem with these data
Target
Polyunsaturated fatty acid lipoxygenase ALOX15
Ligand
BDBM50011748
Substrate
n/a
Meas. Tech.
ChEMBL_1352297 (CHEMBL3269361)
IC50
120±n/a nM
Citation
 Rai, G; Joshi, N; Jung, JE; Liu, Y; Schultz, L; Yasgar, A; Perry, S; Diaz, G; Zhang, Q; Kenyon, V; Jadhav, A; Simeonov, A; Lo, EH; van Leyen, K; Maloney, DJ; Holman, TR Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies. J Med Chem 57:4035-48 (2014) [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:
BDBM50011748
Synonyms:
CHEMBL3262919
Type:
Small organic molecule
Emp. Form.:
C18H17N3O
Mol. Mass.:
291.3471
SMILES:
CCCCNc1oc(nc1C#N)-c1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: