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. Author manuscript; available in PMC: 2022 Dec 19.
Published in final edited form as: Nature. 2021 Dec 15;601(7893):452–459. doi: 10.1038/s41586-021-04220-9

Extended Data Figure 2. Binding pocket of CB2 with selected dead-end atoms.

Extended Data Figure 2.

a) 3D illustration of a MEL compound binding pose (carbon atoms colored cyan) with a “non-productive” pose. (b,c,d) 2D schematics showing other possible non-productive cases, including dead-end sub-pockets. Dead-end water-colored red, pseudoatoms colored magenta.