Ensemble refinement model
PDB 5J87|dpdb_d4gnw415
Ensemble refinement model
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
- Program
- PHENIX phenix.ensemble_refinement
- Model type
- Ensemble
- Purpose
- Refinement
- Atoms
- 640,359
- Residues
- 1,061
- Protein chains
- 4
- Alternate-location fraction
- 0%
- Ligand
- N42
Evaluations
R-work
0.232
R-free
0.282
Clashscore
—
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations