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8AOJ
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BU of 8aoj by Molmil
Specific covalent inhibitor of ERK2
Descriptor: 1,2-ETHANEDIOL, 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one, DIMETHYL SULFOXIDE, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO2
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BU of 8ao2 by Molmil
Specific covalent inhibitor (3) of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOD
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BU of 8aod by Molmil
Specific covalent inhibitor(14) of ERK2
Descriptor: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOA
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BU of 8aoa by Molmil
Covalent and non-covalent inhibitor of ERK2 (two sites)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOH
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BU of 8aoh by Molmil
Specific covalent inhibitor(18) of ERK2
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO7
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BU of 8ao7 by Molmil
Specific covalent inhibitor (8) of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOE
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BU of 8aoe by Molmil
Specific covalent inhibitor(15) of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022

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