Ensemble refinement model
PDB 5F4N|dpdb_5tp40keq
Ensemble refinement model
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)
- Program
- PHENIX phenix.ensemble_refinement
- Model type
- Ensemble
- Purpose
- Refinement
- Atoms
- 93,042
- Residues
- 258
- Protein chains
- 1
- Alternate-location fraction
- 0%
- Ligands
- 5UY, EDO, GOL
Evaluations
R-work
0.155
R-free
0.196
Clashscore
—
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations