| Compound | Amino acid | Type | Distance (Å) | Hydrophobic residue | Binding affinity (Sybyl total score) |
| 2a | TGP11 | π-π | 3.6 | LYS374, GLU418, LYS425, GLU356, DC112, ASN352, TGP11, DA113 | 9.53 | DA113 | π-π | 3.79 | DA113 | π-π | 3.78 | ARG364 | Hydrogen bond | 2.81 |
| 2b | TGP11 | π-π | 3.84 | GLU418, CD112, ASN352, ALA351, DA113, TGP11, LYS374 | 8.98 | DA113 | π-π | 4.06 | LYS425 | π-π | 3.83 | LYS425 | Hydrogen bond | 3.28 | GLU356 | Hydrogen bond | 3.26 |
| 5b | TGP11 | π-π | 3.46 | ASP533, ARG364, TGP11, TRP416, ASN352, ALA351 | 9.40 | TGP11 | π-π | 3.52 | DT10 | π-π | 3.82 | DT10 | Hydrogen bond | 2.73 | DA113 | Hydrogen bond | 2.93 |
| CPT | TGP11 | π-π | 3.68 | DC112, DA113, TGP11, DT10, DG12 | 10.27 | TGP11 | π-π | 3.91 | TGP11 | π-π | 3.51 | DC112 | π-π | 3.50 | DA113 | π-π | 3.56 | DA113 | π-π | 3.72 | ASP533 | Hydrogen bond | 3.24 | ARP364 | Hydrogen bond | 2.97 |
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