Compound Name | PubChem CID | CDK-2 | CDK-6 | ||||
Binding Energy (Kcal/mol) | Hydrogen Bonds, Distance (Å) | Interacting Amino Acids | Binding Energy (Kcal/mol) | Hydrogen Bonds, Distance (Å) | Interacting Amino Acids | ||
Kaempferol | 5280863 | −7.872 | Val64, 2.22. | Val64, Ala144, Asp145, Leu134, Phe146, Phe80, Ala31, Val18. | −9.012 | Lys43, 2.33; Glu61, 2.14; His100, 2.78; Val101, 2.25; Val101, 2.21; Gln149, 1.71. | Ile19, Val27, Ala41, Lys43, His100, Gln103, Val101, Glu61, Ala162, Leu152, Gln149. |
Myricetin | 5281672 | −8.137 | Leu83, 2.13; Leu83, 2.73; Asp86, 1.64; Asp145, 1.89. | Ile10, Val18, Asp86, Ala31, Leu83, Leu134, Phe80, Ala144, Asp145. | −9.622 | Lys43, 2.78; Glu61, 2.51; Val101, 1.83; Val101, 2.08; Asp104, 1.81. | Ile19, Val27, Ala41, Lys43, His100, Glu99, Val101, Glu61, Gln103, Ala162, Asp163, Leu152, Asp163, Gln103. |
P-Hydroxycinnamic Acid | 637542 | −7.149 | Leu83, 2.06; Asp145, 2.16. | Val18, Ala31, Phe82, Leu93, Val64, Ala144, Asp145. | −7.103 | Lys43, 2.63; Val101, 2.00; Val101, 2.06; Asp163, 2.39. | Val27, Lys43, His100, Val101, Asp163. |
Quercetin | 5280343 | −8.298 | Val64, 1.92; Glu81, 1.99. | Val18, Asp145, Ala144, Leu134, Ala31, Leu83, Glu81, Val64, Phe80. | −8.559 | Glu21, 1.70; Val101, 2.56; Asp163, 1.88. | Lys147, Leu152, Ala162, Asp163, Val101, Glu21, Val27, Ala41, His100. |