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PDB: 2 results

9ETR
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BU of 9etr by Molmil
Crystal structure of PARP1 catalytic domain bound to AZD9574
Descriptor: 6-fluoranyl-5-[4-[(5-fluoranyl-2-methyl-3-oxidanylidene-4~{H}-quinoxalin-6-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
Authors:Schimpl, M.
Deposit date:2024-03-26
Release date:2024-12-04
Last modified:2025-01-08
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Discovery of 6-Fluoro-5-{4-[(5-fluoro-2-methyl-3-oxo-3,4-dihydroquinoxalin-6-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD9574): A CNS-Penetrant, PARP1-Selective Inhibitor.
J.Med.Chem., 67, 2024
9ETQ
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BU of 9etq by Molmil
Crystal structure of PARP1 catalytic domain bound to AZD5305 (SARUPARIB)
Descriptor: 5-[4-[(7-ethyl-6-oxidanylidene-5~{H}-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Schimpl, M.
Deposit date:2024-03-26
Release date:2024-12-04
Last modified:2025-01-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of 6-Fluoro-5-{4-[(5-fluoro-2-methyl-3-oxo-3,4-dihydroquinoxalin-6-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD9574): A CNS-Penetrant, PARP1-Selective Inhibitor.
J.Med.Chem., 67, 2024

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PDB entries from 2025-07-09

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