| number | chemical name | binding energy | hydrogen bond | hydrophobic | Action with Ca | Other functions |
| MOL006957 | (3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | −9.0 | GLY29 GLY31 | TRP30 | Metal-Acceptor | Pi-Cation: LYS60 Pi-sulfer: CYS44 C-H: HIS47 |
| MOL003851 | Isoramanone | −8.1 | HIS47 ASP48 | LEU2 TRP30 TYR51 | Metal-Acceptor | / |
| MOL012225 | 3-[(2S,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl acetate | −7.7 | HIS47 | PHE5 GLY29 | Pi-Anion | VDW: TRP30 Pi-Cation: ASP48 |
| MOL004350 | Ruvoside-qt | −6.9 | ASP48 | TRP30 HIS47 TYR51 LYS60 | / | / |
| MOL008203 | 14-deoxy-11-oxo-andrographolide | −6.8 | GLY29 ASP48 LYS60 | LEU2 TRP30 TYR51 LYS60 | Unfavorable Bump | / |
| MOL005622 | tomentogenin | −6.7 | ASP48 | LEU2 TRP30 TYR51 LYS60 | / | / |
| MOL008213 | 14-deoxy-12-methoxyandrographolide | −5.8 | GLY31 ASP48 | TRP30 TYR51 | Metal-Acceptor | / |
| MOL008290 | 1,2-diacyl-sn-glycero-3-phosphocholine | −5.7 | TRP30 GLY31 HIS47 LYS60 | CYS44 HIS47 PRO120 | / | Pi-Anion: TRP30 Attractive charge: LYS60 C-H: GLY32 |
| MOL000513 | Gallic acid | −6.3 | TYR21 GLY29 HIS47 | PHE5 HIS47 | Metal-Acceptor | / |
| MOL000106 | pyrogallol | −5.7 | TYR27 GLY29 HIS47 | PHE5 TRP20 | / | / |