Deposited model
PDB 5F4N|dpdb_5tp40keq
Deposited 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
- BUSTER 2.10.2
- Model type
- Deposited
- Purpose
- Reference
- Authors
- Collins, I., Garrett, M.D., van Montfort, R., Osborne, J.D., Matthews, T.P., McHardy, T., Proisy, N., Cheung, K.J., Lainchbury, M., Brown, N., Walton, M.I., Eve, P.D., Boxall, K.J., Hayes, A., Henley, A.T., Valenti, M.R., De Haven Brandon, A.K., Box, G., Westwood, I.M., Jamin, Y., Robinson, S.P., Leonard, P., Reader, J.C., Aherne, G.W., Raynaud, F.I., Eccles, S.A.
- Atoms
- 2,450
- Residues
- 258
- Protein chains
- 1
- Unmodeled fraction
- 5.49%
Evaluations
R-work
0.149
R-free
0.188
Clashscore
2.4
Macromolecules
The same in every model of this entry.
Data
L0 Raw
L1 Processed
L2 Models
L3 Evaluations