Table 3 Potential compounds displaying various H-bond interacting residues.
Designed compounds | No. of H-bonds | Interacting residues | Designed compounds | No. of H-bonds | Interacting residues |
|---|---|---|---|---|---|
1 | 3 | Asp133, Val135 | 6c | 4 | Ile62, Val135, Asn186, Cys199 |
3 | 1 | Val135 | 6f | 3 | Val135, Thr138 |
4 | 1 | Val135 | 6i | 3 | Asn64, Tyr134, Gln185 |
2 | 4 | Ile62, Asp133, Val135 | 6n | 3 | Ile62, Val135, Cys199 |
6a | 3 | Ile62, Val135, Gln185 | CHIR-98014 | 5 | Ile62, Thr138, Val135, Gln185 |
6b | 1 | Ile62 | Bio-acetoxime | 3 | Asp133, Val135 |
