Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01753655

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
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.73
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.79
A66	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	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	0.77
XAN	XANTHINE	A	3GAO	0.8
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.8
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.8
XAN	XANTHINE	A	2UZ9	0.8
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.8
XAN	XANTHINE	A,B,C,D	1A96	0.8
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE	A	2JJA	0.8
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.78
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A,B	1AC9	0.74
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE	A	2F3T	0.74
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.81
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.81
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A,C,E,F	486D	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A,B,R,S	1ASZ	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A	2TRA	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A,B	1F7U	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	R,S	1ASY	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A	3TRA	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	B	1F7V	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A	1YFG	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A	1LUU	0.71
1MG	1N-METHYLGUANOSINE-5'-MONOPHOSPHATE	A,B,C,D	1IL2	0.71
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.7
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	0.76
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
2ND	2'-DEOXYINOSINE	A	1Z39	0.72
MG7	7-METHYLGUANOSINE	A	1EQA	0.73
MG7	7-METHYLGUANOSINE	A	4DCG	0.73
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.85
35G	GUANOSINE-3',5'-MONOPHOSPHATE	A,B	3DBA	0.71
35G	GUANOSINE-3',5'-MONOPHOSPHATE	A,B	2OUU	0.71
35G	GUANOSINE-3',5'-MONOPHOSPHATE	A,B,C,D,E,F	1BHN	0.71
35G	GUANOSINE-3',5'-MONOPHOSPHATE	A	2K31	0.71
5HG	{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID	A,B	2G1A	0.7
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL	A,B	1I5V	0.7
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.83
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.73
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.73
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.85
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE	A,C,E,G	2EG5	0.79
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
3DG	9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE	E	1V45	0.74
TEP	THEOPHYLLINE	A	1EHT	0.83
TEP	THEOPHYLLINE	A,B	2A3A	0.83
TEP	THEOPHYLLINE	A	1O15	0.83
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.73
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.81
NDM	7,9-DIMETHYLGUANINE	A	1JSZ	0.75
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
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	1Q3E	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	1RL3	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	3DYN	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B,C	1BE4	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	3CL1	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	3DYL	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B,C,D	2GX5	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	2Q0A	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A	1MC0	0.71
PCG	CYCLIC GUANOSINE MONOPHOSPHATE	A,B	3DYQ	0.71
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	0.82
5CG	5'-CHLORO-5'-DEOXY-GUANOSINE	B,C,E,F,M,P	1M5P	0.71
37T	THEOBROMINE	A	2EFJ	0.87
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.78
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.76
GNG	2'-DEOXY-GUANOSINE	A,B,C,D	1NH3	0.71
GNG	2'-DEOXY-GUANOSINE	A,B	3DS7	0.71
GNG	2'-DEOXY-GUANOSINE	A,B	2ZI7	0.71
GNG	2'-DEOXY-GUANOSINE	A,B	2A8G	0.71
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.85
GMP	GUANOSINE	A	2GBH	0.73
GMP	GUANOSINE	A	1IH7	0.73
GMP	GUANOSINE	A	2QVN	0.73
GMP	GUANOSINE	A,B	1WAF	0.73
GMP	GUANOSINE	A,B,C,D,E,F	1JE1	0.73
GMP	GUANOSINE	A	3DMH	0.73
GMP	GUANOSINE	E	1RFG	0.73
GMP	GUANOSINE	A	2FQX	0.73
GMP	GUANOSINE	A	3CFO	0.73
GMP	GUANOSINE	A,B	2AN9	0.73
GMP	GUANOSINE	A,B,C,D,E,F	1ODJ	0.73
93A	[3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE	A,B	2B1I	0.72
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	0.76
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.8
MG1		A	229D	0.71
ZAD	(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE	A	2JJA	0.7
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