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5F4N

Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)

Resources
File formatFile name (file size)
PDBx/mmCIF5f4n.cif.gz Display(127.48 KB)
5f4n.cif
PDBx/mmJSONall5f4n.json.gz Display (Tree)(91.58 KB)
5f4n.json
no-atom5f4n-noatom.json.gz Display (Header)(16.16 KB)
5f4n-noatom.json
add only5f4n-plus.json.gz Display(1.20 KB)
5f4n-plus.json
PDBMLall5f4n.xml.gz Display(173.68 KB)
5f4n.xml
no-atom5f4n-noatom.xml.gz Display(28.91 KB)
5f4n-noatom.xml
ext-atom5f4n-extatom.xml.gz Display(55.17 KB)
5f4n-extatom.xml
pdb_nextgenallpdb_00005f4n_xyz-enrich.cif.gz Display(136.99 KB)
pdb_00005f4n_xyz-enrich.cif
no-atompdb_00005f4n_xyz-no-atom-enrich.xml.gz Display(39.55 KB)
pdb_00005f4n_xyz-no-atom-enrich.xml
ng-only5f4n-plus.json.gz Display(2.34 KB)
5f4n-plus.json
PDBpdb5f4n.ent.gz Display(97.87 KB)
pdb5f4n.ent
RDF5f4n.rdf.gz Visualize(82.00 KB)
5f4n.rdf
Structure factorsr5f4nsf.ent.gz Display(612.43 KB)
r5f4nsf.ent
Biological unit (mmCIF format)5f4n-assembly1.cif.gz Display(116.85 KB)
5f4n-assembly1.cif (A)

*software defined assembly, 1 molecule(s) (monomeric)

Biological unit (PDB format)5f4n.pdb1.gz Display(92.32 KB)
5f4n.pdb1 (A)

*software defined assembly, 1 molecule(s) (monomeric)

Validation reportsPDF5f4n_validation.pdf.gz Display(462.89 KB)
5f4n_validation.pdf
PDF-full5f4n_full_validation.pdf.gz Display(463.85 KB)
5f4n_full_validation.pdf
mmCIF5f4n_validation.cif.gz Display(22.72 KB)
5f4n_validation.cif
XML5f4n_validation.xml.gz Display(15.17 KB)
5f4n_validation.xml
PNG5f4n_multipercentile_validation.png.gz Display(165.78 KB)
5f4n_multipercentile_validation.png
SVG5f4n_multipercentile_validation.svg.gz Display(953.00 B)
5f4n_multipercentile_validation.svg
EDMap2fo-fc (PDBx/mmCIF)5f4n_validation_2fo-fc_map_coef.cif.gz Display(368.85 KB)
5f4n_validation_2fo-fc_map_coef.cif
fo-fc (PDBx/mmCIF)5f4n_validation_fo-fc_map_coef.cif.gz Display(335.15 KB)
5f4n_validation_fo-fc_map_coef.cif
2fo-fc (MTZ)5f4n_validation_2fo-fc_map_coef.mtz Visualize(618.06 KB)
fo-fc (MTZ)5f4n_validation_fo-fc_map_coef.mtz Visualize(618.06 KB)

226707

PDB entries from 2024-10-30

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