. 2019 May 16;24:103994. doi: 10.1016/j.dib.2019.103994

Table 5.

Summary of docking analysis with cannabinoid receptor (PDB ID 3TGZ).

Sr. No.	Ligand	Score	Interacting Residues	Bond Type	Bond Distance
1	Niacin	−14.7132	MET 103	HB	1.84
1	Niacin	−14.7132	ASP 104	HB	2.07
2	Thiamine	−13.5476	PHE 102	Pi-Pi Stacking	4.92
			SER 383	HB	1.81
			SER 123	HB	1.69
3	Ascorbic acid	−11.9942	ASP 163	HB	2.30
			TRP 356	HB	1.70
			CYS 386	HB	1.86
			SER 199	HB	2.44
			ALA 162	HB	2.12
4	Riboflavin	−9.4202	PHE 170	Pi-Pi Stacking	5.43
			MET 103	HB	1.96
			SER 383	HB	2.06
5	8 nonynoic acid	−4.3902	ASP 104	HB	1.84
6	9 Decynoic acid	−3.8828	ASP 104	HB	1.95
6	9 Decynoic acid	−3.8828	MET 103	HB	1.83
7	Methyl 8-oxooctadec-9-ynoate	−3.0906	ASN 389	HB	2.66
7	Methyl 8-oxooctadec-9-ynoate	−3.0906	TRP 356	HB	1.86
8	Methyl non-8-ynoate	−2.5398	TRP 356	HB	1.95
9	Methyl Dec-9-ynoate	−2.4934	TRP 356	HB	1.95
10	(9) Methyl (E)-11-methoxy-9-oxononadec-10-enoate	−2.1673	TRP 356	HB	1.95
11	Quercetin 3,3′ diglucoside	−1.505	SER 383	HB	2.61
			TRP 356	HB	2.51
			SER 390	HB	1.50
12	Methyl malvalate	−0.5677	No Interaction
13	Methyl Sterculate	−0.2554	ASN 389	HB	2.50
13	Methyl Sterculate	−0.2554	TRP 356	HB	1.85
14	Quercetin 3,4′ diglucoside	−0.201	PHE 174	Pi-Pi Stacking	5.44
14	Quercetin 3,4′ diglucoside	−0.201	ASP 104	HB	2.14
15	Campesterol	3.5794	No Interaction
16	Beta rosasterol	6.6198
17	Beta sitosterol	6.6198
18	Orlistat	−1.7877	MET 103	HB	1.82
			ASP 104	HB	2.09
			SER 383	HB	1.65

Orlistat, as only standard drug used in market is used as standard reference for docking studies. Hence the docking result of orlistat in all tables is bold for ease of comparison.