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PDB: 3 results

8SIW
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BU of 8siw by Molmil
Structure of Compound 5 bound to the CHK1 10-point mutant
Descriptor: (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.877 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIX
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BU of 8six by Molmil
Structure of Compound 13 bound to the CHK1 10-point mutant
Descriptor: (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
8SIV
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BU of 8siv by Molmil
Structure of Compound 2 bound to the CHK1 10-point mutant
Descriptor: N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, Serine/threonine-protein kinase Chk1
Authors:Palte, R.L.
Deposit date:2023-04-17
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023

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