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. 2019 Feb 11;9:1778. doi: 10.1038/s41598-018-38332-6

Table 2.

Binding affinity of Deguelin and its derivatives with dynamically stable conformation of cyclin D1 receptor.

Sr. No. Compound Name PubChem CID Binding Affinity (kcal/mol) Interacting Residues Bond Type Bond Distance (A0)
1 Deguelin 107935 −8.7 Lys35 H-Bond 2.35
2 Deg-32 89254848 −10.9 Gly13
His95
Glu144
H-Bond
H-Bond
H-Bond
2.14
2.23
1.64
3 Deg-40 71457423 −9.3 Gly13
Val14
H-Bond
H-Bond
2.07
1.67
4 Deg-49 68251256 −10.1 Gly13 H-Bond 1.74