O44: 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride
O44 is a Ligand Of Interest in 5U8L designated by the RCSB
| Best-fitted instance in this entry |
| Other instances in this entry |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with different target (top 5) |
| 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 |
|---|
| 5U8L_O44_A_9001 | 74% | 21% | 0.092 | 0.937 | 1.72 | 1.57 | 8 | 7 | 0 | 0 | 92% | 0.9211 |
| 5K9I_O44_A_601 | 63% | 17% | 0.141 | 0.938 | 1 | 2.54 | 2 | 20 | 0 | 0 | 100% | 0.9737 |
