8FBV
 
 | | Compound 7 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F97
 | | Compound 5 bound to procaspase-6 | | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9A
 | | Compound 11 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F99
 | | Compound 10 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9B
 | | Compound 19 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9C
 | | Compound 20 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F9D
 | | Compound 21 bound to procaspase-6 | | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F98
 | | Compound 8 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F96
 | | Compound 3 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-23 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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8F78
 | | Compound 1 bound to procaspase-6 | | Descriptor: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | | Authors: | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | | Deposit date: | 2022-11-18 | | Release date: | 2023-12-13 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
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