qFit model
PDB 5F4N|dpdb_5tp40keq
qFit 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 2.0_5824
- Model type
- Multiconformer
- Purpose
- Model Building
- Atoms
- 5,890
- Residues
- 258
- Protein chains
- 1
- Alternate-location fraction
- 94.19%
- Ligands
- 5UY, EDO, GOL
Evaluations
R-work
0.149
R-free
0.194
Clashscore
—
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations