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Table 2 Molecular interactions present in the selected complexes and the amino acids involved

From: In silico evaluation of some 4-(quinolin-2-yl)pyrimidin-2-amine derivatives as potent V600E-BRAF inhibitors with pharmacokinetics ADMET and drug-likeness predictions

Complex Hbond Hbond-length Carbon-Hbond Alkyl Pi-Alkyl Pi-Pi Pi-cation Pi-sulfur Halo-bond
5 LYS483
ASP594
GLY596
CYS532
GLU533
2.40188
2.41834
2.85749
2.12511
3.02445
ASP594
GLN530
ALA481
ILE527
LYS483
ALA481
LEU514
CYS532
LYS483
LEU514
PHE583
PHE583
PHE583
LYS483 CYS532 ILE527
9 LYS483
ASP594
GLY596
CYS532
2.50055
2.7364
2.74485
2.07217
LYS483
ASP594
GLN530
LEU505
ILE527
PHE583
ALA481
LEU514
LYS483
PHE583
PHE583
PHE583
  CYS532
CYS532
ASP594
10 LYS483
ASP594
ASP594
2.67517
2.52033
1.73749
LYS483
LYS483
LYS483
ASP594
ALA481
LEU514
VAL471
PHE468
PHE583
PHE583
LYS483
ILE527
LEU505
ILE527
VAL471
LEU514
PHE595 LYS483   ASN581
ASP594
ASP594
11 LYS483
ASP594
ASP594
2.24422
2.48517
1.79414
ASP594   LYS483
ILE527
LEU505
VAL471
ALA481
LYS483
ALA481
TRP531 LYS483 CYS532  
Vem. CYS532
GLY596
GLN530
1.69013
2.06126
1.74262
ASP594
GLY596
CYS532
THR529
LEU505
ILE527
PHE595
LYS483
ALA481
LEU514
CYS532
ALA481
CYS532
TRP531
PHE583
LYS483   ALA481