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Compound class: Synthetic organic
Comment: Computational approaches discovered a previously unknown allosteric site on 15-lipoxygenase (15-LOX). PKUMDL_MH_1001 is reported as a positive allosteric modulator acting at this novel site . PKUMDL_MH_1001 increases levels of 15-LOX products and reduces production of pro-inflammatory mediators in human whole blood assays. The structure specified in 'supplementary data'  has 2 unresolved stereo centres and there are 9 same connectivity records in PubChem.
This compound has potential to drive inflammation resolution by shifting the arachidonic acid metabolic pathway to the production of 15-LOX products such as lipoxins, and inhibiting production of pro-inflammatory mediators such as leukotrienes and prostaglandins.
Ligand Activity Visualisation Charts
These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.✖
|Compound class||Synthetic organic|
|GtoPdb PubChem SID||315661226|
|Search Google for chemical match using the InChIKey||GEMFAWUXUVGGTE-FCDQGJHFSA-N|
|Search Google for chemicals with the same backbone||GEMFAWUXUVGGTE|
|Search UniChem for chemical match using the InChIKey||GEMFAWUXUVGGTE-FCDQGJHFSA-N|
|Search UniChem for chemicals with the same backbone||GEMFAWUXUVGGTE|