Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02886779

Ligand	Ligand name	Chain	PDB	Tanimoto
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.77
CFF	CAFFEINE	A,B	1L5Q	0.8
CFF	CAFFEINE	A,B	2A3B	0.8
CFF	CAFFEINE	A,B	1L7X	0.8
CFF	CAFFEINE	A	1GFZ	0.8
CFF	CAFFEINE	A,B	3DDW	0.8
CFF	CAFFEINE	A,B	3DD1	0.8
CFF	CAFFEINE	A,B	3DDS	0.8
CFF	CAFFEINE	A	1C8L	0.8
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.76
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.73
TEP	THEOPHYLLINE	A	1EHT	0.78
TEP	THEOPHYLLINE	A,B	2A3A	0.78
TEP	THEOPHYLLINE	A	1O15	0.78
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.76
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.71
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.74
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE	A,C,E,G	2EG5	0.73
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.79
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.78
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.73
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.71
XAN	XANTHINE	A	3GAO	0.75
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.75
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.75
XAN	XANTHINE	A	2UZ9	0.75
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.75
XAN	XANTHINE	A,B,C,D	1A96	0.75
37T	THEOBROMINE	A	2EFJ	0.82
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE	A	2JJA	0.72
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.72
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.72
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.7
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.8