| Compound | Nucleotide | Fitting points | Interatomic distance (Å) | RMS (Å) |
| 5-HT | GTP | C2C4C6 | 0.06, 0.07, 0.01 | 0.0049 |
| 5-HT | GTP | C8N7C2 | 0.05, 0.02, 0.05 | 0.0022 |
| 5-HT | GTP | N7C5C1’ | 0.01, 0.00, 0.01 | 0.0002 |
| ADAM | GTP | C2C4C5 | 0.05, 0.06, 0.02 | 0.0068 |
| ambroxol | GTP | C2C4C5 | 0.06, 0.04, 0.03 | 0.0010 |
| arachadonic acid | ATP | C5C1C2’ | 0.11, 0.12, 0.05 | 0.0033 |
| bufalin | cGMP | C4C2’O9 | 0.04, 0.03, 0.07 | 0.0066 |
| carbamazepine | GTP | C8N9C1 | 0.04, 0.05, 0.06 | 0.0112 |
| carbamazepine | GTP | C6N1C2 | 0.01, 0.01, 0.02 | 0.0021 |
| cocaine | GTP | C2C4C5 | 0.06, 0.04, 0.03 | 0.0010 |
| cocaine | cGMP | C6N1C1’ | 0.06. 0.07, 0.06 | 0.0001 |
| dapoxetine | GTP | C2C4C5 | 0.07, 0.06, 0.03 | 0.0056 |
| digitoxigenin | cGMP | O9C1’C4 | 0.04, 0.09, 0.08 | 0.0159 |
| 1,2-dioctanoylglycerol | ATP | C1’N9C5 | 0.02, 0.09, 0.10 | 0.0023 |
| escitalopram | GTP | C5C6C2 | 0.02, 0.03, 0.04 | 0.0003 |
| fluvoaxamine | GTP | C2C4C5 | 0.07, 0.04, 0.04 | 0.0017 |
| ibogaine | cGMP | C4’C3’N1 | 0.06, 0.05, 0.02 | 0.0006 |
| ibogaine | GTP | C2C4C5 | 0.04, 0.04, 0.01 | 0.0013 |
| immepip | GTP | C8N1C2 | 0.02, 0.04, 0.06 | 0.0042 |
| (S)-ketamine | GTP | N9C1’C2’ | 0.05, 0.08, 0.04 | 0.0167 |
| (S)-ketamine | GTP | C4N9C2’ | 0.10, 0.07, 0.03 | 0.0046 |
| (S)-ketamine | GTP | O6C6C5 | 0.01, 0.05, 0.06 | 0.0052 |
| (S)-ketamine | GTP | N1C2N3 | 0.07, 0.09, 0.03 | 0.0086 |
| (S)-ketamine | GTP | C1’N9C8 | 0.05, 0.06, 0.03 | 0.0109 |
| (S)-ketamine | GTP | C5C4C2 | 0.04, 0.03, 0.06 | 0.0004 |
| (S)-ketamine | GTP | C2’C1’N9 | 0.05, 0.08, 0.05 | 0.0018 |
| levomilnacipran | GTP | C2’C1’C8 | 0.03, 0.05, 0.07 | 0.0136 |
| levomilnaipran | GTP | C2C4C5 | 0.06, 0.04, 0.02 | 0.0000 |
| methylene blue | GTP | C2C4C5 | 0.07, 0.05, 0.04 | 0.0035 |
| mirtazapine | GTP | C5C4C2 | 0.02, 0.01, 0.02 | 0.0007 |
| MK-7145 | GTP | C2C4C5 | 0.03, 0.03, 0.02 | 0.0037 |
| 1-monolauroylglycerol | ATP | C1’N9C5 | 0.02, 0.09, 0.09 | 0.0009 |
| ouabain | cGMP | O9C2’C4 | 0.06, 0.05, 0.03 | 0.0016 |
| ouabain | cGMP | N9C1’O8 | 0.11, 0.02, 0.10 | 0.0052 |
| ouabain | cGMP | C2’C1’N9 | 0.08, 0.04, 0.10 | 0.0143 |
| ouabain | GTP | N2C6C4 | 0.06, 0.09, 0.13 | 0.0071 |
| paroxetine | GTP | C2C4C5 | 0.04, 0.05, 0.02 | 0.0072 |
| propafenone | ATP | O9C1’C8 | 0.05, 0.01, 0.04 | 0.0109 |
| protriptyline | GTP | C8N9C1’ | 0.08, 0.08, 0.01 | 0.0019 |
| psilocin (13) | GTP | C5C4C2 | 0.02, 0.03, 0.04 | 0.0019 |
| psilocin (14) | GTP | C5C4C2 | 0.05, 0.03, 0.08 | 0.0016 |
| psilocybin | GTP | C5C4C2 | 0.02, 0.04, 0.03 | 0.0048 |
| QX314 | GTP | C8N9C1’ | 0.05, 0.02, 0.06 | 0.0077 |
| QX314 | GTP | C6N1C2 | 0.02, 0.01, 0.01 | 0.0017 |
| rostafuroxin | cGMP | C4C2’O9 | 0.02, 0.05, 0.06 | 0.0104 |
| sealdin | GTP | C5C6N2 | 0.10, 0.05, 0.09 | 0.0029 |
| triiodothyronine (T3) | ATP | C5C6C3’ | 0.05, 0.07, 0.05 | 0.0066 |
| trazon | GTP | N3C2N1 | 0.07, 0.01, 0.08 | 0.0058 |
| trazon | GTP | N9C4C5 | 0.02, 0.07, 0.07 | 0.0075 |
| thioperamide | GTP | C2N3N9 | 0.03, 0.07, 0.04 | 0.0120 |
| triamterene | GTP | N7C8C1’ | 0.03, 0.03, 0.02 | 0.0072 |
| triamterene | GTP | C6C2N3 | 0.03, 0.03, 0.04 | 0.0039 |
| tripelennamine | GTP | C5C4C2 | 0.02, 0.04, 0.05 | 0.0040 |
| vortioxetine | GTP | C2C4C5 | 0.06, 0.05, 0.02 | 0.0042 |