Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00109444

Ligand	Ligand name	Chain	PDB	Tanimoto
CFF	CAFFEINE	A,B	1L5Q	0.9
CFF	CAFFEINE	A,B	2A3B	0.9
CFF	CAFFEINE	A,B	1L7X	0.9
CFF	CAFFEINE	A	1GFZ	0.9
CFF	CAFFEINE	A,B	3DDW	0.9
CFF	CAFFEINE	A,B	3DD1	0.9
CFF	CAFFEINE	A,B	3DDS	0.9
CFF	CAFFEINE	A	1C8L	0.9
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.72
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.87
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.73
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.84
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.84
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.84
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.87
XAN	XANTHINE	A	3GAO	0.79
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.79
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.79
XAN	XANTHINE	A	2UZ9	0.79
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.79
XAN	XANTHINE	A,B,C,D	1A96	0.79
HPA	HYPOXANTHINE	A	1PNR	0.71
HPA	HYPOXANTHINE	A	2EET	0.71
HPA	HYPOXANTHINE	A	2PUG	0.71
HPA	HYPOXANTHINE	A	1A9T	0.71
HPA	HYPOXANTHINE	A	1BDI	0.71
HPA	HYPOXANTHINE	A	1QQA	0.71
HPA	HYPOXANTHINE	A	1VFN	0.71
HPA	HYPOXANTHINE	A	1VPW	0.71
HPA	HYPOXANTHINE	A	2EEV	0.71
HPA	HYPOXANTHINE	A	1A9Q	0.71
HPA	HYPOXANTHINE	A	1A9R	0.71
HPA	HYPOXANTHINE	A	2EEU	0.71
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.71
HPA	HYPOXANTHINE	A	1JFT	0.71
HPA	HYPOXANTHINE	A	2EEW	0.71
HPA	HYPOXANTHINE	A	2PUD	0.71
HPA	HYPOXANTHINE	A	1QP7	0.71
HPA	HYPOXANTHINE	A,M	1ZAY	0.71
HPA	HYPOXANTHINE	A	1JH9	0.71
HPA	HYPOXANTHINE	A	2EES	0.71
HPA	HYPOXANTHINE	A	1JFS	0.71
HPA	HYPOXANTHINE	A	1QP0	0.71
HPA	HYPOXANTHINE	A	1QPZ	0.71
HPA	HYPOXANTHINE	A	1U8D	0.71
HPA	HYPOXANTHINE	A	1QQB	0.71
HPA	HYPOXANTHINE	A	1BDH	0.71
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.71
HPA	HYPOXANTHINE	A	1QP4	0.71
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.71
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.72
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.71
GUN	GUANINE	A,B	1IT7	0.71
GUN	GUANINE	A,B,C,D	3BP1	0.71
GUN	GUANINE	A	1XT4	0.71
GUN	GUANINE	A	1ULB	0.71
GUN	GUANINE	A,B	2I9U	0.71
GUN	GUANINE	A	2JH9	0.71
GUN	GUANINE	E	1V2H	0.71
GUN	GUANINE	A	2JHA	0.71
GUN	GUANINE	A,B,C,D	1A95	0.71
GUN	GUANINE	A,B,C	1XE7	0.71
GUN	GUANINE	A,B,C	1YQQ	0.71
GUN	GUANINE	A,B	1D6A	0.71
GUN	GUANINE	A	1WET	0.71
GUN	GUANINE	A	2PUF	0.71
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.71
GUN	GUANINE	A,B,C	1VMK	0.71
GUN	GUANINE	A,B,C	1YQU	0.71
GUN	GUANINE	A	2JHC	0.71
GUN	GUANINE	A	2JH8	0.71
GUN	GUANINE	A	2JHP	0.71
GUN	GUANINE	A	2PUC	0.71
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.71
GUN	GUANINE	A,B,C,D,E,F	2O74	0.71
GUN	GUANINE	A	2PWU	0.71
GUN	GUANINE	A	2OOD	0.71
GUN	GUANINE	A	2POT	0.71
TEP	THEOPHYLLINE	A	1EHT	0.82
TEP	THEOPHYLLINE	A,B	2A3A	0.82
TEP	THEOPHYLLINE	A	1O15	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	0.76
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.82
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.71
37T	THEOBROMINE	A	2EFJ	0.87
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.72
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.72
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.74
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.74