. 2021 Jun 24;6(26):16890–16904. doi: 10.1021/acsomega.1c01501

Table 3. Interactions of Compounds 6e and 6f with the Active Site of 2Q06.

compd. no.	B. E. (S)Kcal/mol	interaction groups	interaction amino acids	length of hydrogen bonds Å
6e	–4.5829	OH	Glu 339	2.88 Å
		OH	Ala 387	2.82 Å
		NH₂	His 272	cation
6f	–4.9411	OH	Gly 435	2.97 Å
		NH₂	Ser 438	3.08 Å
		Cl	Arg 446	3.36 Å
		Pyrimidine	Asp 439	cation