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. 2021 Mar 9;4(2):834–847. doi: 10.1021/acsptsci.1c00011

Table 1. D-Score Values and Residues of BA and KA Interacting with Selected Proteins.

  Akt (1O6L)
mTOR (4JSP)
  D-score (kcal/mol) interacting residues D-score (kcal/mol) interacting residues
BA –7.5 Thr162 –8.4 Lysl452
  NF-kB (1SVC)
mTOR (4JSP)
STAT3 (6NJS)
  D-score (kcal/mol) interacting residues D-score (kcal/mol) interacting residues D-score (kcal/mol) interacting residues
KA –7.4 Lysl49 –8.1 Arg2217 –6.9 Lys573
Asnl421 Lys574
Asn567