Skip to main content

Table 2 Off-targets candidates for torcetrapib identified by reverse docking procedure

From: Clarifying off-target effects for torcetrapib using network pharmacology and reverse docking approach

Rank

Target details (PDB Code)

Ligand

Binding score (kcal/mol)

1

PDGFR (1GQ5)

crenolanib

28.7711

torcetrapib

42.0439

2

HGFR (3U6H)

compound 03X

40.8298

torcetrapib

40.2422

3

IL-2 receptor (4HCV)

compound 13 J

46.049

torcetrapib

38.126

4

ErbB1 (3BEL)

compound POX

35.5674

torcetrapib

34.7466