H-89   Click here for help

GtoPdb Ligand ID: 5983

Synonyms: H 89
PDB Ligand
Compound class: Synthetic organic
Comment: H-89 is an inhibitor of protein kinase A (PKA) [2,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 79.47
Molecular weight 445.05
XLogP 3.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c1cccc2c1ccnc2
Isomeric SMILES Brc1ccc(cc1)/C=C/CNCCNS(=O)(=O)c1cccc2c1ccnc2
InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
InChI Key ZKZXNDJNWUTGDK-NSCUHMNNSA-N

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
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: 1,3

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
protein kinase X-linked PrKX/PRKX Hs Inhibitor Inhibition -2.5 0.0 0.0
protein kinase, cAMP-dependent, catalytic, alpha subunit PKA/PKA Hs Inhibitor Inhibition 10.5 2.0 6.0
protein kinase N1 nd/PKN1(PRK1) Hs Inhibitor Inhibition 14.3
Rho associated coiled-coil containing protein kinase 2 ROCK-II/ROCK2 Hs Inhibitor Inhibition 15.4 8.0 0.0
ribosomal protein S6 kinase B1 p70S6K/p70S6K(RPS6KB1) Hs Inhibitor Inhibition 25.6 13.0 5.0
Protein kinase G (PKG) 1 PKG1α/PKG1a Hs Inhibitor Inhibition 26.3 4.0 4.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 30.9
NUAK family kinase 1 ARK5/ARK5(NUAK1) Hs Inhibitor Inhibition 32.8 42.0 11.0
Rho associated coiled-coil containing protein kinase 1 ROCK-I/ROCK1 Hs Inhibitor Inhibition 37.8 89.0 29.0
protein kinase C delta PKCδ/PKCd Hs Inhibitor Inhibition 38.1 54.0 11.0
Displaying the top 10 targets  View all targets in screen »