The results of molecular docking.
Abbreviation | Name | Pose number | -CIE | Number of HB | Number of π-bond | Number of amino acid residues interacting |
---|---|---|---|---|---|---|
TX6 | (6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile | 1 | 26.094 | — | 10 | 12 |
KEFT | Lys-Glu-Phe-Thr | 1 | 66.6412 | 5 | — | 14 |
EEASA | Glu-Glu-Ala-Ser-Ala | 1 | 76.1739 | 6 | — | 12 |
RYDD | Arg-Tyr-Asp-Asp | 1 | 71.3115 | 4 | — | 14 |