Table 1.
Drugs | Mass (Da) |
Structure1 | Kd (nM)2 |
PDB ID |
Type3 | Type II Similarity Score |
---|---|---|---|---|---|---|
Imatinib | 493.6 | 1.1 | 1IEP | II | 100 +/−1.2 | |
Nilotinib | 529.2 | 10 | 3CS9 | II | 73.9 +/−0.5 | |
Ponatinib | 532.4 | -- | 3OXZ | II | 61.9 +/−0.9 | |
Sorafenib | 637.0 | 130 | N/A | II | 48.6 +/−1.0 | |
DCC-2036 | 553.6 | -- | 3QRI | II | 43.4 +/−0.2 | |
Bosutinib | 529.2 | 0.12 | 3UE4 | I | 42.5 +/−1.2 | |
Tozasertib | 464.6 | 13 | 2F4J | I | 42.2 +/−0.7 | |
PP2 | 301.1 | -- | N/A | I | 38.9 +/−0.9 | |
Saracatinib | 541.4 | -- | N/A | I | 35.2 +/−0.7 | |
Staurosporine | 466.5 | 37 | 2HZ4 | I | 24.5+/−1.5 | |
Dasatinib | 487.2 | 0.029 | 2GQG | I | 21.8 +/−0.1 |
Atom types shown as colored circles: blue = nitrogen, grey = hydrogen, red = oxygen, pink = fluorine, green = chlorine, black = carbon, yellow = sulfur.
Ligand dissociation constants can be found in reference 39.
Binding type derived from PDB entries showing the indicated small molecule bound to the Abl kinase. In cases where no Abl structure was available, data for similar kinases were used to confirm the binding type shown. References: PP2 = 40, Saracatinib = 41, Sorafinib = 42.