A1AQL: (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one
A1AQL is a Ligand Of Interest in 9BKO designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
9BKO_A1AQL_A_403 | 95% | 24% | 0.064 | 0.968 | 1.14 | 1.95 | 4 | 11 | 0 | 0 | 100% | 1 |