Table 4.
Intermolecular hydrogen-bond interactions of 4 leads.
Flavonoid Name | Interaction | Distance (Å) |
---|---|---|
BI-2852 (reference) | OG atom in Ser39 with N2 atom in BI-2852 | 3.11 |
OD1 atom in Asp54 with N1 atom in BI-2852 | 2.84 | |
5-Dehydroxyparatocarpin K (L1) | O atom in Leu6 with O4 atom in L1 | 2.79 |
O atom in Asp54 with O4 atom in L1 | 3.00 | |
Carpachromene (L2) | O atom in Leu6 with O4 atom in L2 | 2.78 |
O atom in Asp54 with O4 atom in L2 | 2.97 | |
Sanggenone H (L3) | O atom in Asp54 with O4 atom in L3 | 3.19 |
Kuwanol C (L4) | O atom in Leu6 with O5 atom in L4 | 2.70 |
O atom in Asp54 with O5 atom in L4 | 2.48 | |
O atom in Tyr71 with O4 atom in L4 | 2.70 |