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Figure 2
(a) A comparison of the predicted binding mode of belumosudil to ROCK2 (purple) and the binding mode of belumosudil to CK2α (green) observed in the crystal structure. (b) (i) The predicted binding mode of belumosudil (purple) to ROCK2 compared with the binding mode of 1426382-07-1 (yellow) to ROCK2 as observed in a crystal structure. (ii) Rotated by 180°. (c) The predicted binding mode of compound 1 to CK2α (cyan) compared with the binding mode observed in the crystal structure (green). (d) The predicted binding mode of compound 2 to ROCK2. (e) The structures of belumosudil and of the two analogues designed to have increased selectivity.

Journal logoSTRUCTURAL BIOLOGY
COMMUNICATIONS
ISSN: 2053-230X
Volume 78| Part 10| October 2022| Pages 348-353
https://doi.org/10.1107/S2053230X22008767
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