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Small docking set of FDA approved type II inhibitors
| Kinase | PDB code | Docked compounds |
|---|---|---|
| ABL1 | 2HYY, 3CS9, 3OXZ a | Imatinib, nilotinib, ponatinib |
| KDR | 3WZE, 4AG8 b | Sorafenib, axitinib |
All three ABL1 crystal structures are classified as A‐loop: “closed type 2,” P‐loop: “collapsed,” and αC‐helix: “αC‐in” (which is equivalent to HM 1).
All two KDR crystal structures are classified as A‐loop: “closed A‐under‐P,” P‐loop: “stretched,” and αC‐helix: “αC‐in” (which is equivalent to HM 12).
