Compound | Binding affinity (kcal/mol) | Interacting amino acid | |
---|---|---|---|
H-bond | Hydrophobic | ||
12a | − 9.1 | Phe140, Leu141, His163, Met165 | His41, Ser144, Cys145, Glu166 |
12b | − 8.8 | Leu141, Gly143, His163 | Met49, Phe140, Ser144, Cys145, Glu166, Pro168, Thr190, Ala191 |
12c | − 8.3 | Leu141, Gln189 | Thr26, Leu27, His41, Met49, Ser144, Cys145, Pro168 |
12d | − 9.2 | Leu141, Glu166, Gln189 | His41, Ser144, Cys145, Met165, Glu166 |
12e | − 9.3 | Phe140, Leu141, His163, Met165 | His41, Phe140, Gly143, Cys145, Met165, Glu166, Gln189 |
12f | − 9.2 | Phe140, Leu141, His163, Met165, Arg188 | His41, Phe140, Gly143, Cys145, Met165, Glu166, Gln189 |
12 g | − 8.8 | Glu166, Leu167 | Met49, Asn142, Cys145, Met165, Glu166, Gln189, Thr190, Ala191, |
12 h | − 8.7 | Glu166, Leu167, Thr190 | Leu27, His41, Met49, Cys145, Met165, Glu166, Pro168, Gln189, Thr190, Ala191 |
12i | − 8.7 | Asn142, His164 | Thr26, His41, Met49, Phe140, Gly143, Cys145, Met165, Glu166, Pro168 |
12j | − 8.3 | Asn142, Thr190 | His41, Cys145, Met165, Glu166, Leu167, Pro168, Gln189 |
12 k | − 9.1 | Glu166. Leu167 | Leu27, His41, Met49, Cys145, Met165, Glu166, Thr190, Ala191 |
12 l | − 8.2 | Asn142, Thr190 | Cys145, Met165, Glu166, Pro168 |