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5CAS
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BU of 5cas by Molmil
EGFR kinase domain mutant "TMLR" with compound 41a
Descriptor: (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5HCY
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BU of 5hcy by Molmil
EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13
Descriptor: 6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5HCZ
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BU of 5hcz by Molmil
EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21
Descriptor: 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
5HCX
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BU of 5hcx by Molmil
EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
Authors:Eigenbrot, C, Yu, C.
Deposit date:2016-01-04
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor.
J.Med.Chem., 59, 2016
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