Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00327612

Ligand	Ligand name	Chain	PDB	Tanimoto
TEP	THEOPHYLLINE	A	1EHT	0.75
TEP	THEOPHYLLINE	A,B	2A3A	0.75
TEP	THEOPHYLLINE	A	1O15	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.77
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.78
CFF	CAFFEINE	A,B	1L5Q	0.82
CFF	CAFFEINE	A,B	2A3B	0.82
CFF	CAFFEINE	A,B	1L7X	0.82
CFF	CAFFEINE	A	1GFZ	0.82
CFF	CAFFEINE	A,B	3DDW	0.82
CFF	CAFFEINE	A,B	3DD1	0.82
CFF	CAFFEINE	A,B	3DDS	0.82
CFF	CAFFEINE	A	1C8L	0.82
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.83
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.86
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.76
XAN	XANTHINE	A	3GAO	0.72
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.72
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.72
XAN	XANTHINE	A	2UZ9	0.72
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.72
XAN	XANTHINE	A,B,C,D	1A96	0.72
37T	THEOBROMINE	A	2EFJ	0.79