Table 4. Interactions of Compounds 6e and 6f with the Active Site of 7BV2.
compd. no. | B. E. (S)Kcal/mol | interaction groups | interaction amino acids | length of hydrogen bonds Å |
---|---|---|---|---|
6e | –5.0696 | OH | ACH | 3.14 |
C=S | Asn A496 Asn A497 | 4.06 | ||
C=S | 3.73 | |||
6f | –5.6214 | OH | Asp A845 Lys A545 | 2.91 |
C=S | Tyr A546 | 3.41 | ||
C=S | UC12 | 3.30 | ||
Cl | 3.44 |