Table 2 Summary of the docking score of the top three compounds obtained from each database
Compound ID | Docking score (kcal/mol) | Interaction residues |
|---|---|---|
Maybridge_489 | − 6.000 | TYP_324,ASP_285, LYS_36, |
Enamine_87271 | − 6.490 | ARG-383, ASN-384 |
Specs_112055 | − 8.702 | TYR-324,GLN-322,PHE-11,SER-42 |