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Table 4 Docking results of 6 core targets and related compounds

From: A network pharmacology approach to reveal the pharmacological targets and biological mechanism of compound kushen injection for treating pancreatic cancer based on WGCNA and in vitro experiment validation

Targets PDB ID Compound Affinity (kcal·mol−1)
AKT1 6CCY Adenine − 5.0
MAPK1 5NHH Adenine − 4.9
MAPK3 4QTB Adenine − 5.4
EGFR 1XKK Adenine − 5.4
N-methylcytisine − 7.9
CDK1 5LQF Adenine − 5.1
Lamprolobine − 8.6
JAK1 3EYH 9α-Hydroxymatrine − 7.8
Sophoranol − 7.6