Table 1 Overview of data represented in MdrDB.
Property | No. of counts | No. of counts in source datasets | ||||
|---|---|---|---|---|---|---|
No. of samples | 100,537 | AIMMS (5048), DepMap (1500), GDSC (91,215), KinaseMD (1334), Platinum (840), RET (456), TKI (144) | ||||
No. of unique UniProt IDs | 240 | AIMMS (10), DepMap (5), GDSC (99), KinaseMD (31), Platinum (126), RET (1), TKI (4) | ||||
No. of unique ligands | 440 | AIMMS (16), DepMap (5), GDSC (180), KinaseMD (48), Platinum (126), RET (3), TKI (8) | ||||
No. of mutations | 2503 | AIMMS (121), DepMap (49), GDSC (1805), KinaseMD (43), Platinum (530), RET (11), TKI (31) | ||||
No. of unique UniProt ID-Mutations | 2673 | AIMMS (173), DepMap (49), GDSC (1818), KinaseMD (43), Platinum (578), RET (11), TKI (80) | ||||
No. of unique PDB IDs | 5119 | AIMMS (430), DepMap (220), GDSC (4128), KinaseMD (802), Platinum (241), RET (21), TKI (8) | ||||
No. of Platinum processed | No. of TKI processed | No. of PyMOL mutated | No. of AlphaFold 2 folded | |||
Mutant structure source | 840 | 144 | 94,987 | 4566 | ||
No. of Platinum cocrystal | No. of TKI cocrystal | No. of TKI docked | No. of docked | |||
Drug pose source | 840 | 131 | 13 | 99,553 | ||
No. of single substitution | No. of multiple substitutions | No. of deletion | No. of insertion | No. of indel | No. of complex | |
Mutation types | 84,038 | 11,977 | 3228 | 355 | 243 | 696 |
