Ligand | Name | H Bond | pi-pi | Pi-Cation | Pi-Sigma | Hydrophobic |
NCT | L-(-)-nicotine | NCT:H15-S153:O | Y98-NCT | Y98, W154, Y202-NCT:N2 | W57-NCT:H1, H5 | V96, L97, F151, L121 |
IM4 | Imidacloprid | Y195-IM4 | V111, F119, F172 | |||
09O | 1-(pyridin-3-yl)-1,4-diazepane | 09O:H5-W154:O | Y195-09O | W154-09O:N1 W57-09O:N1 | L121 | |
09P | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane | 09P:H3-W154:O | W154, Y195, Y202-09P:N1 | V96, L97, L121 | ||
09Q | 1-(5-phenylpyridin-3-yl)-1,4-diazepane | Y195-09Q:N2 F172-09Q:N2 | M36, L121, L169, F172 | |||
09R | 1-(6-bromopyridin-3-yl)-1,4-diazepane | W57-09R | Y202-09R:N3 | V96, F119, L121, F172 | ||
09S | 1-(6-bromo-5-ethoxypyridin-3-yl) -1,4-diazepane | Y195:HH-09S:N3 | Y195-09S | Y98, W154-09S:N1 | V96, L97, F119, L121, F172 | |
LOB | Alpha-lobeline | W154-LOB | W154, Y195, Y202-LOB:N1 | LOB-T155:HA | V96, L97, F151, A110, V11, F119, L121 | |
QMR | Varenicline | Y202-QMR W57-QMR | Y195-QMR:N1 W57-QMR:N1 | Y195-QMR:H1 | V96, L97, F15, F119, L121 | |
SW4 | 2-[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl] methoxy]pyridin- 3-yl]cyclopropyl]ethanol | Y195:HH-SW4:O1 | F119-SW4:N2 | V111, F119, F121 | ||
C5E | Cytisine | C5E:H6-S153:O; C5E:H15-W154:O | W57-C5E | W154, Y202-C5E:N2 | Y202-C5E:H4 | V96, L97, F151, L121 |