. Author manuscript; available in PMC: 2011 Oct 12.

Published in final edited form as: J Biomol Screen. 2009 Sep 4;14(9):1109–1118. doi: 10.1177/1087057109344617

Table 2.

Binding Energy and K_d of 4 Hits for AChBPs

	E_binding, kcal/mol			K_d, nM
NSC Number	Cbtx	AChBP	AChBP	[³H]Epibatidine	[¹²⁵I]α-Bungarotoxin
36387	−7.74	−9.68	Ls	20.49	13.83
			Ac	78.96	241.70
			Bt	37.45
42258	−6.87	−10.59	Ls	245.70	93.43
			Ac	1147.00	2913.00
			Bt	1890.00
121865	−6.10	−7.97	Ls	111.50	75.90
			Ac	16.26	36.63
			Bt	415.30
134754	−6.97	−9.44	Ls	792.60	404.40
			Ac	2366.00	4620.00
			Bt	2629.00

E_binding from AutoDock Version 4.1. AChBP, acetylcholine binding protein; K_d, dissociation constant; Ac, Aplysia californica; Ls, Lymnaea stagnalis; Bt, Bolinus truncates.