S.N | ZINC ID | Binding energy (Kcal/mol) | Type of interaction | Interacting residues |
---|---|---|---|---|
1. | ZINC000085569031 |  − 14.4 | Conventional hydrogen bond, Pi-cation, Pi-anion, and alkyl bond, Unfavorable positive-positive | Arg268, Gln271, Leu336, Asp438, Arg439, Lys464, Ala469 |
2. | ZINC000257435291 |  − 14.2 | Attractive charge, conventional hydrogen bond, Carbon hydrogen bond, Unfavorable positive-positive, Unfavorable negative-negative | Tyr265, Arg268, Gln333, Glu337, Gln340, Arg439, Ser461 |
3. | ZINC000150351499 |  − 13.9 | Attractive charge, conventional hydrogen bond, pi-sigma, pi-alkyl, Unfavorable positive-positive | His290, Ala310, Glu315, Arg318, Glu450 |
4. | ZINC000253530205 |  − 13.9 | Attractive charge, carbon hydrogen bond, pi-cation, alkyl, pi-alkyl | Arg268, Ile273, Leu336, Asp468, Ala469 |
5. | ZINC000257787835 |  − 13.9 | Attractive charge, conventional hydrogen bond, pi-cation, pi-anion, pi-sigma, pi-pi t-shaped, pi-alkyl | Arg268, Gln333, Leu336, Asp468, Ala469, His471 |
6. | ZINC000253529638 | -13.8 | Attractive charge, conventional hydrogen bond, pi-cation, pi-anion, pi-sigma, pi-pi t-shaped, pi-alkyl | Val286, His290, Ala311, His314, Glu315, Arg318, Glu450 |
7. | ZINC000150359935 |  − 13.8 | Attractive charge, conventional hydrogen bond, pi-pi t-shaped, alkyl, pi-alkyl, unfavorable positive-positive | Leu336, Phe435, Lys464, Asp468, Ala469, His471 |
8. | ZINC000276935378 |  − 13.8 | Attractive charge, conventional hydrogen bond, carbon hydrogen bond, pi-cation, unfavorable positive-positive | Glu279, Arg318, Arg447, Leu456 |
9. | ZINC000253531178 | -13.6 | Attractive charge, carbon hydrogen bond, alkyl, pi-alkyl | Arg268, Ile273, Leu336, Ala469, Asp468 |
10. | ZINC000085569053 |  − 13.6 | Attractive charge, conventional hydrogen bond, pi-cation, pi-anion, alkyl, unfavorable positive-positive | Arg268, Gln271, Leu336, Asp438, Arg439, Lys464, Ala469 |