Table 3 Summary of selected protein structures, mutations, ChEMBL selected ligands, and the number of dockings ordered by the PDB ID
UniProt ID | PDB ID | # of protein structures | # of ligands | # of dockings |
|---|---|---|---|---|
P00749 | 1owh | 38 | 1901 | 72225 |
P11309 | 2c3i | 18 | 1240 | 22316 |
P18031 | 2hb1 | 18 | 419 | 7531 |
P03372 | 2pog | 13 | 7017 | 91214 |
P00918 | 2weg | 22 | 1013 | 22281 |
P00742 | 2y5h | 33 | 667 | 22010 |
P07900 | 3b27 | 21 | 1954 | 41023 |
P10275 | 3b5r | 83 | 466 | 38671 |
P39086 | 3fv1 | 43 | 345 | 14782 |
O14757 | 3jvr | 11 | 631 | 6933 |
P24941 | 3pxf | 10 | 505 | 5044 |
P37231 | 3u9q | 20 | 606 | 12114 |
P56817 | 3udh | 5 | 2127 | 10635 |
O14965 | 3up2 | 18 | 895 | 16109 |
P00734 | 3utu | 27 | 1796 | 48492 |
P03951 | 4crc | 50 | 690 | 34496 |
Q16539 | 4dli | 9 | 1320 | 11878 |
P23458 | 4e5w | 9 | 1090 | 9801 |
P39900 | 4gr0 | 38 | 1090 | 41419 |
Q9H2K2 | 4j21 | 17 | 3295 | 56001 |
O60674 | 4jia | 7 | 848 | 5930 |
Q08881 | 4m0y | 19 | 169 | 3197 |
P00519 | 4twp | 26 | 795 | 20662 |
O60885 | 4wiv | 3 | 917 | 2747 |
P04637 | 5a7b | 160 | 113 | 17996 |
Q9Y233 | 5c28 | 13 | 352 | 4567 |
Total | 731 | 32261 | 640074 |