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. 2018 Jan 18;57(7):1249–1261. doi: 10.1021/acs.biochem.7b01048

Table 1. Comparison of the Dimension of the Mcl1 Binding Pocket Using the Initial and the Average Structure of Compounds 1–5 Using EBI-PDBSum40.

compd initial coordinates (Å3) MD average structure (Å3)
1 1192.22 1065.23
2 1192.22 1273.22
3 1258.88 1179.98
4 1258.88 1201.50
5 1258.88 1348.31