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Molecular properties generated using the CDK
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|
|Compound 7 selectively inhibits αVβ6 integrin-mediated cell adhesion . It was discovered in a medicinal chemistry effort to rationally design improved therapeutics for idiopathic pulmonary fibrosis (IPF).
Docking studies indicate that compound 7 binds in a pocket formed at the interface of the α and β integrin subunits. Since compound 7 is selective for β6-containing αV integrins we have recorded the binding data against the various β subunits tested, to make comparisons clearer.
|GtoPdb PubChem SID||385612210|
|Search Google for chemical match using the InChIKey||BXOSGYRJKCYDLH-YAYCEGLDSA-N|
|Search Google for chemicals with the same backbone||BXOSGYRJKCYDLH|
|Search UniChem for chemical match using the InChIKey||BXOSGYRJKCYDLH-YAYCEGLDSA-N|
|Search UniChem for chemicals with the same backbone||BXOSGYRJKCYDLH|