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. 2017 Aug 29;76(1):135–145. doi: 10.1007/s12013-017-0821-6

Table 2.

Docking scores and interaction profile of two final hit molecules with the inactive (1R0P) and active (2RFS) conformation of c-Met by Autodock

Docking energy (kcal/mol)
ZINC ID Autodock Vina Autodock 4.2 Estimated IC50 (nM) H-Bonds Hydrophobic interactions
1R0P ZINC08234189 −11.7 −12.91 0.345 P1158 M1160 I1084, R1086, F1089, V1092, A1108, L1140, L1157, Y1159, M1211, D1228, M1229, Y1230, D1231, K1232
2RFS ZINC03871891 −10.4 −10.54 18.76 R1208 N1209 V1092, L1140, L1157, M1160, D1164, M1211, A1221, D1222, Y1230