Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00395937

Ligand	Ligand name	Chain	PDB	Tanimoto
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.76
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.78
E1X	PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER	C,E	1T39	0.72
SIB	(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID	A	2PLM	0.7
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.75
TGP		A,C	1SC7	0.71
TGP		A,C,D	1K4T	0.71
TGP		A,C,D	1T8I	0.71
TGP		A,C,D	1SEU	0.71
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
TEP	THEOPHYLLINE	A	1EHT	0.77
TEP	THEOPHYLLINE	A,B	2A3A	0.77
TEP	THEOPHYLLINE	A	1O15	0.77
CFF	CAFFEINE	A,B	1L5Q	0.79
CFF	CAFFEINE	A,B	2A3B	0.79
CFF	CAFFEINE	A,B	1L7X	0.79
CFF	CAFFEINE	A	1GFZ	0.79
CFF	CAFFEINE	A,B	3DDW	0.79
CFF	CAFFEINE	A,B	3DD1	0.79
CFF	CAFFEINE	A,B	3DDS	0.79
CFF	CAFFEINE	A	1C8L	0.79
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.75
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.7
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.7
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.75
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.75
37T	THEOBROMINE	A	2EFJ	0.8
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
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.74
XAN	XANTHINE	A	3GAO	0.73
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.73
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.73
XAN	XANTHINE	A	2UZ9	0.73
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.73
XAN	XANTHINE	A,B,C,D	1A96	0.73
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE	A	2JJA	0.73
S4G		A,B	2RMQ	0.74
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	0.76
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A,B	1AC9	0.71
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A	2F3T	0.71
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.76
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.73