XS1: 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
XS1 is a Ligand Of Interest in 7LAN 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 |
7LAN_XS1_E_604 | 74% | 40% | 0.119 | 0.948 | 1.01 | 1.32 | 3 | 5 | 0 | 0 | 100% | 1 |
7LAN_XS1_B_605 | 66% | 34% | 0.116 | 0.949 | 1.04 | 1.54 | 2 | 7 | 0 | 0 | 85% | 0.8462 |
7LAN_XS1_I_605 | 66% | 42% | 0.126 | 0.931 | 0.96 | 1.28 | 2 | 5 | 0 | 0 | 100% | 1 |
7LAN_XS1_G_605 | 59% | 42% | 0.14 | 0.923 | 0.97 | 1.29 | 3 | 5 | 0 | 0 | 100% | 1 |