Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00253836

Ligand	Ligand name	Chain	PDB	Tanimoto
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
290	6-methyl-3,9-dihydro-2H-purin-2-one	A,B,C,I,J,K	3B9J	0.75
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.8
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.8
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.77
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A,B	1AC9	0.73
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A	2F3T	0.73
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.77
ADE	ADENINE	A	1WEI	0.7
ADE	ADENINE	A	2QLU	0.7
ADE	ADENINE	A,B	2H8G	0.7
ADE	ADENINE	A,B	1HQC	0.7
ADE	ADENINE	A	1AHA	0.7
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.7
ADE	ADENINE	A,B,D	1YXM	0.7
ADE	ADENINE	A	1CB0	0.7
ADE	ADENINE	A,B	2QTT	0.7
ADE	ADENINE	A,B,C	1XE8	0.7
ADE	ADENINE	A,B	1M2T	0.7
ADE	ADENINE	A	2P8N	0.7
ADE	ADENINE	A,B,C	2PQJ	0.7
ADE	ADENINE	A,B,C	1VRL	0.7
ADE	ADENINE	A,B	3BSF	0.7
ADE	ADENINE	X	1Y26	0.7
ADE	ADENINE	A,B	1ZN7	0.7
ADE	ADENINE	A,B	1Z5N	0.7
ADE	ADENINE	A	1QB7	0.7
ADE	ADENINE	A	1LU1	0.7
ADE	ADENINE	A,B	1Q8Y	0.7
ADE	ADENINE	A	2QES	0.7
ADE	ADENINE	A	2PUB	0.7
ADE	ADENINE	A	1Z8D	0.7
ADE	ADENINE	A	1JH8	0.7
ADE	ADENINE	A	1QD2	0.7
ADE	ADENINE	A	2ICS	0.7
ADE	ADENINE	A	1IFS	0.7
ADE	ADENINE	A	1NLI	0.7
ADE	ADENINE	A,B	1D2A	0.7
ADE	ADENINE	A	1GIU	0.7
ADE	ADENINE	A	1J1R	0.7
ADE	ADENINE	A	2QET	0.7
ADE	ADENINE	A,B,C	1OD4	0.7
ADE	ADENINE	A,B	1QCI	0.7
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.7
ADE	ADENINE	A,B	1JYS	0.7
ADE	ADENINE	A	1LPD	0.7
ADE	ADENINE	A,B	1OD2	0.7
ADE	ADENINE	A	1WTA	0.7
ADE	ADENINE	A,B,C	1S2D	0.7
ADE	ADENINE	A	1MUD	0.7
ADE	ADENINE	A	2PUE	0.7
DX4	2-amino-1,9-dihydro-6H-purine-6-thione	A,B,C,D	3BMG	0.79
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
GUN	GUANINE	A,B	1IT7	0.96
GUN	GUANINE	A,B,C,D	3BP1	0.96
GUN	GUANINE	A	1XT4	0.96
GUN	GUANINE	A	1ULB	0.96
GUN	GUANINE	A,B	2I9U	0.96
GUN	GUANINE	A	2JH9	0.96
GUN	GUANINE	E	1V2H	0.96
GUN	GUANINE	A	2JHA	0.96
GUN	GUANINE	A,B,C,D	1A95	0.96
GUN	GUANINE	A,B,C	1XE7	0.96
GUN	GUANINE	A,B,C	1YQQ	0.96
GUN	GUANINE	A,B	1D6A	0.96
GUN	GUANINE	A	1WET	0.96
GUN	GUANINE	A	2PUF	0.96
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.96
GUN	GUANINE	A,B,C	1VMK	0.96
GUN	GUANINE	A,B,C	1YQU	0.96
GUN	GUANINE	A	2JHC	0.96
GUN	GUANINE	A	2JH8	0.96
GUN	GUANINE	A	2JHP	0.96
GUN	GUANINE	A	2PUC	0.96
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.96
GUN	GUANINE	A,B,C,D,E,F	2O74	0.96
GUN	GUANINE	A	2PWU	0.96
GUN	GUANINE	A	2OOD	0.96
GUN	GUANINE	A	2POT	0.96
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.84
XAN	XANTHINE	A	3GAO	0.87
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.87
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.87
XAN	XANTHINE	A	2UZ9	0.87
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.87
XAN	XANTHINE	A,B,C,D	1A96	0.87
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.8
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.78
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.86
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.86
ANG	8-AMINOGUANINE	A,C	1M3Q	0.89
ANG	8-AMINOGUANINE	A,E	1LWV	0.89
BRG	8-BROMOGUANINE	A,E	1LWW	0.86
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.71
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.9
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.71
37T	THEOBROMINE	A	2EFJ	0.83
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.87
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.7
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.72
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE	A	2JJA	0.73
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.76
HPA	HYPOXANTHINE	A	1PNR	0.98
HPA	HYPOXANTHINE	A	2EET	0.98
HPA	HYPOXANTHINE	A	2PUG	0.98
HPA	HYPOXANTHINE	A	1A9T	0.98
HPA	HYPOXANTHINE	A	1BDI	0.98
HPA	HYPOXANTHINE	A	1QQA	0.98
HPA	HYPOXANTHINE	A	1VFN	0.98
HPA	HYPOXANTHINE	A	1VPW	0.98
HPA	HYPOXANTHINE	A	2EEV	0.98
HPA	HYPOXANTHINE	A	1A9Q	0.98
HPA	HYPOXANTHINE	A	1A9R	0.98
HPA	HYPOXANTHINE	A	2EEU	0.98
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.98
HPA	HYPOXANTHINE	A	1JFT	0.98
HPA	HYPOXANTHINE	A	2EEW	0.98
HPA	HYPOXANTHINE	A	2PUD	0.98
HPA	HYPOXANTHINE	A	1QP7	0.98
HPA	HYPOXANTHINE	A,M	1ZAY	0.98
HPA	HYPOXANTHINE	A	1JH9	0.98
HPA	HYPOXANTHINE	A	2EES	0.98
HPA	HYPOXANTHINE	A	1JFS	0.98
HPA	HYPOXANTHINE	A	1QP0	0.98
HPA	HYPOXANTHINE	A	1QPZ	0.98
HPA	HYPOXANTHINE	A	1U8D	0.98
HPA	HYPOXANTHINE	A	1QQB	0.98
HPA	HYPOXANTHINE	A	1BDH	0.98
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.98
HPA	HYPOXANTHINE	A	1QP4	0.98
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.98
2ND	2'-DEOXYINOSINE	A	1Z39	0.71
TEP	THEOPHYLLINE	A	1EHT	0.88
TEP	THEOPHYLLINE	A,B	2A3A	0.88
TEP	THEOPHYLLINE	A	1O15	0.88
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.72
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.83
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.77
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
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.72