TABLE 2
Structure of literature ligands used for the in silico docking analysis
Activity of each compound is expressed as IC50 or Ki values reported in the literature, obtained using various methodologies (binding assays, electrophysiology).
| Compound # (Reference) | Structure | Activity | Compound # (Reference) | Structure | Activity |
|---|---|---|---|---|---|
| nM | nM | ||||
| 1 (EVT-101) (Kemp and Tasker, 2009) |  | 12 | 11 (Buttelmann et al., 2003) |  | 3 |
| 2 (MK-22) (Layton et al., 2011) |  | 0.9 | 12 (Alanine et al., 2003) |  | 7.5 |
| 3 (Ifenprodil) (Carron et al., 1971) |  | 140 | 13 (Suetake-Koga et al., 2006) |  | 57 |
| 4 (Liverton et al., 2004) |  | n.d. | 14 (Alanine et al., 2002) |  | 9 |
| 5 (King et al., 2013) |  | n.d. | 15 (Davies et al., 2012) |  | 8 |
| 6 (King et al., 2013) |  | n.d. | 16 (Davies et al., 2012) |  | 80 |
| 7 (King et al., 2013) |  | n.d. | 17 (Brown et al., 2011) |  | 12 |
| 8 (Claiborne et al., 2003) |  | 72 | 18 (Tewes et al., 2015) |  | 26 |
| 9 (McIntyre et al., 2009) |  | 2 | 19 (Gitto et al., 2012) |  | 9 |
| 10 (CP-101,606) (Chenard et al., 1995) |  | 11 | 20 (Ro25-6981) (Fischer et al., 1997) |  | 9 |