S.No. | Compound (ZINC ID) | Binding free energy (Kcal/ mol) | Amino acid residues involved in interactions via different types of bonding |
---|---|---|---|
1. | ZINC38167083 | −10.0 | Ser18, Ala38, His39, Leu41, Thr42, Gly43, Asn44, Val61, Gly63, Asp64, Thr134, Ile143, Thr145, Phe151 |
2. | ZINC16919178 | −9.9 | Phe3, Thr5, Ser9, Leu10, Asn11, Phe26, Pro78, Tyr92, Leu94, Val99, Pro101, Ile123, Gly127 |
3. | ZINC08792350 | −9.5 | Phe3, Thr5, Ser9, Leu10, Asn11, Val76, Pro78, Arg90, Val99, Tyr92, Pro101, Phe166, Asp192, Ile123, Leu196 |
4. | ZINC01510656 | −9.4 | Thr5, Ser9, Leu10, Asn11, Phe26, Val76, Pro78, Tyr92, Leu94, Val99, IIe123, Gly127 |
5. | ZINC08877407 | −9.3 | His39, Gly63, Asp64, Ala114, Cys115, Gly116, ASP117, Ser118, His133, Thr134, Gly135, Ser136, Lys138, Ile143, Thr145, Phe151 |
6. | ZINC32124273 | −9.3 | Phe3, Thr5, Ser9, Asn11, Phe26, Pro78, Lys79, Ala80, Tyr92, Leu94, Arg90, Val99, Pro101, Ile123, Thr124, Glu125, Ala126, Gly127 |
7. | ZINC00852708 | −9.2 | Thr5, Ser9, Leu10, Asn11, Phe26, Val76, Pro78, Tyr92, Leu94, Val99, IIe123, Gly127 |
8. | ZINC01225926 | −9.2 | Thr5, Ser9, Leu10, Asn11, Phe26, Val76, Pro78, Leu94,Tyr92,Val99, Ile123, Gly127 |
9. | ZINC02116980 | −9.2 | Gly63, Asp64, Ala114, Cys115, Gly116, Asp117,Ser118, His133, Gly135, Thr134, Ser136, Lys138, ILE143, Thr145, Phe151 |
10. | ZINC08790125 | −9.2 | Ser18, Ala38, Leu41, Gly43, Asn44, His39, Val61, Gly63, Asp64, Thr134, IIe143, Thr145, Phe151 |