sirolimus

Ligand id: 6031

Name: sirolimus

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 195.43
Molecular weight 913.56
XLogP 4.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
mechanistic target of rapamycin kinase mTOR-FKBP12/nd Hs Inhibitor Inhibition -17.0 4.0
ribosomal protein S6 kinase A3 Rsk2/RSK2 Hs Inhibitor Inhibition 44.0 55.0
p21 (RAC1) activated kinase 3 PAK3/PAK3 Hs Inhibitor Inhibition 57.0 149.0
mitogen-activated protein kinase-activated protein kinase 5 PRAK/MAPKAPK5(PRAK) Hs Inhibitor Inhibition 57.0 62.0
mechanistic target of rapamycin kinase mTOR/nd Hs Inhibitor Inhibition 57.0 51.0
TANK binding kinase 1 TBK1/TBK1 Hs Inhibitor Inhibition 63.0 55.0
serine/threonine kinase 24 MST3/MST3(STK24) Hs Inhibitor Inhibition 64.0 76.0
BR serine/threonine kinase 1 BrSK1/BRSK1 Hs Inhibitor Inhibition 70.0 68.0
mitogen-activated protein kinase 14 SAPK2a/P38a(MAPK14) Hs Inhibitor Inhibition 72.0 83.0
Raf-1 proto-oncogene, serine/threonine kinase c-RAF/RAF1 Hs Inhibitor Inhibition 73.0 108.0
Displaying the top 10 targets  View all targets in screen »