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Synonyms: Z1514261971 | ZINC000555417447
Compound class: Synthetic organic
Comment: UCSF7447 was found to act as selective inverse agonist of the melatonin receptor 1A (MT1 receptor) . It represents a novel chemotype for MT ligands, and was designed using structure-based optimisation of a lead molecule that was identified in a docking screen of 150 million virtual molecules against a MT1 crystal structure.
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.✖
1. Stein RM, Kang HJ, McCorvy JD, Glatfelter GC, Jones AJ, Che T, Slocum S, Huang XP, Savych O, Moroz YS et al.. (2020)
Virtual discovery of melatonin receptor ligands to modulate circadian rhythms.
Nature, 579 (7800): 609-614. [PMID:32040955]