Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00077571

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
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,D,H	2ATL	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,D,H,J	2AU0	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,P	2OZS	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,P	1TK5	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,P,T	2OZM	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,P	1T05	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,P,T	1TK0	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B	1QSS	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,D,E	3GIM	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,C,D,E,F	2HVH	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,D,E,H	2ASJ	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,P,T	1ZYQ	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,C,D,E,F	2HHW	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,D,E	2HVI	0.71
DDG	2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,D,E,H,J	2ASD	0.71
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.77
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.81
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.7
MG7	7-METHYLGUANOSINE	A	1EQA	0.7
MG7	7-METHYLGUANOSINE	A	4DCG	0.7
2EG		A,B,C	3EPG	0.7
2EG		A,B	2HMD	0.7
2EG		A,B	2HMR	0.7
2EG		A,B,C	3EPI	0.7
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	0.75
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A,B	1AC9	0.7
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A	2F3T	0.7
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.78
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.8
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.8
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.84
HPA	HYPOXANTHINE	A	1PNR	0.76
HPA	HYPOXANTHINE	A	2EET	0.76
HPA	HYPOXANTHINE	A	2PUG	0.76
HPA	HYPOXANTHINE	A	1A9T	0.76
HPA	HYPOXANTHINE	A	1BDI	0.76
HPA	HYPOXANTHINE	A	1QQA	0.76
HPA	HYPOXANTHINE	A	1VFN	0.76
HPA	HYPOXANTHINE	A	1VPW	0.76
HPA	HYPOXANTHINE	A	2EEV	0.76
HPA	HYPOXANTHINE	A	1A9Q	0.76
HPA	HYPOXANTHINE	A	1A9R	0.76
HPA	HYPOXANTHINE	A	2EEU	0.76
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.76
HPA	HYPOXANTHINE	A	1JFT	0.76
HPA	HYPOXANTHINE	A	2EEW	0.76
HPA	HYPOXANTHINE	A	2PUD	0.76
HPA	HYPOXANTHINE	A	1QP7	0.76
HPA	HYPOXANTHINE	A,M	1ZAY	0.76
HPA	HYPOXANTHINE	A	1JH9	0.76
HPA	HYPOXANTHINE	A	2EES	0.76
HPA	HYPOXANTHINE	A	1JFS	0.76
HPA	HYPOXANTHINE	A	1QP0	0.76
HPA	HYPOXANTHINE	A	1QPZ	0.76
HPA	HYPOXANTHINE	A	1U8D	0.76
HPA	HYPOXANTHINE	A	1QQB	0.76
HPA	HYPOXANTHINE	A	1BDH	0.76
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.76
HPA	HYPOXANTHINE	A	1QP4	0.76
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.71
DG3	2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE	A,P	3BQ1	0.7
DG3	2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE	A,T	1JXL	0.7
DG3	2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE	A,B	1QSS	0.7
DG3	2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE	A,P	1T7P	0.7
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.7
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.7
LUZ	pteridine-2,4(1H,3H)-dione	A,B,C,L,M,N	3ETR	0.71
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.71
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.71
37T	THEOBROMINE	A	2EFJ	0.91
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE	A,C,E,G	2EG5	0.75
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.73
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.86
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.89
XAN	XANTHINE	A	3GAO	0.85
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.85
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.85
XAN	XANTHINE	A	2UZ9	0.85
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.85
XAN	XANTHINE	A,B,C,D	1A96	0.85
G31	3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE	A	1D26	0.7
GUN	GUANINE	A,B	1IT7	0.76
GUN	GUANINE	A,B,C,D	3BP1	0.76
GUN	GUANINE	A	1XT4	0.76
GUN	GUANINE	A	1ULB	0.76
GUN	GUANINE	A,B	2I9U	0.76
GUN	GUANINE	A	2JH9	0.76
GUN	GUANINE	E	1V2H	0.76
GUN	GUANINE	A	2JHA	0.76
GUN	GUANINE	A,B,C,D	1A95	0.76
GUN	GUANINE	A,B,C	1XE7	0.76
GUN	GUANINE	A,B,C	1YQQ	0.76
GUN	GUANINE	A,B	1D6A	0.76
GUN	GUANINE	A	1WET	0.76
GUN	GUANINE	A	2PUF	0.76
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.76
GUN	GUANINE	A,B,C	1VMK	0.76
GUN	GUANINE	A,B,C	1YQU	0.76
GUN	GUANINE	A	2JHC	0.76
GUN	GUANINE	A	2JH8	0.76
GUN	GUANINE	A	2JHP	0.76
GUN	GUANINE	A	2PUC	0.76
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.76
GUN	GUANINE	A,B,C,D,E,F	2O74	0.76
GUN	GUANINE	A	2PWU	0.76
GUN	GUANINE	A	2OOD	0.76
GUN	GUANINE	A	2POT	0.76
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.73
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE	A	2JJA	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.77
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.77
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.82
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.71
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.76
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.8
G38	3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE	A,B,C,D,E,F	363D	0.71
13A	7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE	A,B,C,D	2B1G	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	0.83
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
A66	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.9
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.81