Table 1.
Ketamine’s Top 20 Targets Based on Docking Scores.
| Gene Symbol | PDB ID | Ligand ID (Binding Site) | Esketamine Docking Score (kcal/mol) |
Arketamine Docking Score (kcal/mol) |
|---|---|---|---|---|
| GRIN2B | 7EU8 | JC9 (ketamine) | −8.102 | −7.974 |
| PDE3A | 7KWE | X5M | −7.505 | −8.120 |
| MIF | 1GCZ | center of protein | N.A. | −8.008 |
| PDE7A | 1ZKL | IBM | −7.811 | −7.826 |
| PDE5A | 1T9S | 5GP | −7.629 | −7.740 |
| GABRB2 | 6D6T | Cl channel | N.A. | −7.747 |
| JAK1 | 4E4N | 0NL | −7.609 | −7.563 |
| GABRG2 | 6D6T | FYP (benzodiazepines) | −7.448 | N.A. |
| GRIN2A | 7EU7 | JC9 (ketamine) | −7.461 | −7.426 |
| GABRB2 | 6D6T | Y01 (neurosteroids) | −7.371 | −7.387 |
| PDE4D | 1OYN | ROL | N.A. | −7.347 |
| CREB1 | 5ZKO | center of protein | N.A. | −7.339 |
| EGFR | 7OXB | 35Z | −7.117 | −6.986 |
| CD74 | 5KSV | Between alpha helices and beta sheets | N.A. | −7.038 |
| F13A1 | 5MHL | MI0621 | −7.032 | −6.931 |
| GABRA4 | 7QNA | ABU (GABA) | −7.027 | N.A. |
| ACTN4 | 6OA6 | center of protein | N.A. | −7.004 |
| GABRB1 | 6DW1 | ABU (GABA) | −6.720 | N.A. |
| GABRA1 | 6D6T | ABU (GABA) | −6.608 | N.A. |
| GABRB2 | 6D6T | ABU (GABA) | −6.608 | −6.465 |
| GRM4 | 7E9H | SEP (phosphoserine) | −6.322 | −6.308 |
N.A. not analyzed.