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. 2023 Mar 6;45(3):2136–2156. doi: 10.3390/cimb45030137

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