KU-55933   

GtoPdb Ligand ID: 5928

Synonyms: ATM kinase inhibitor | KU55933
Compound class: Synthetic organic
Comment: KU-55933 is a potent and selective inhibitor of the ataxia-telangiectasia mutated (ATM) kinase [3], used to investigate the DNA damage repair response, particularly in relation to exploiting this pathway to discover novel cancer therapeutics.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 93.28
Molecular weight 395.06
XLogP 6.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1
Isomeric SMILES O=c1cc(oc(c1)c1cccc2c1Sc1ccccc1S2)N1CCOCC1
InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2
InChI Key XRKYMMUGXMWDAO-UHFFFAOYSA-N

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: 1-2

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
Pim-3 proto-oncogene, serine/threonine kinase Pim-3/PIM3 Hs Inhibitor Inhibition 52.3 102.0 85.0
protein kinase N2 PRK2/PKN2(PRK2) Hs Inhibitor Inhibition 72.9 112.0 97.0
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 77.6 93.0 30.0
beta adrenergic receptor kinase 1 nd/GRK2 Hs Inhibitor Inhibition 79.0
protein kinase C alpha PKCα/PKCa Hs Inhibitor Inhibition 80.3 95.0 86.0
ribosomal protein S6 kinase A2 Rsk3/RSK3 Hs Inhibitor Inhibition 81.4 98.0 99.0
mitogen-activated protein kinase kinase 2 nd/MEK2 Hs Inhibitor Inhibition 81.8
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 82.4 102.0 83.0
death associated protein kinase 1 DAPK1/DAPK1 Hs Inhibitor Inhibition 82.7 91.0 81.0
G protein-coupled receptor kinase 6 GRK6/GRK6 Hs Inhibitor Inhibition 83.0 100.0 101.0
Displaying the top 10 targets  View all targets in screen »