Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049660

Ligand	Ligand name	Chain	PDB	Tanimoto
A2F	2-fluoroadenine	A	3GOT	1
A2F	2-fluoroadenine	A,B,C	3GB9	1
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.88
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.88
6MP	6-METHYLPURINE	A,B,C	1OU4	0.88
6MP	6-METHYLPURINE	A,B,C	1OTY	0.88
6MP	6-METHYLPURINE	A	2PUA	0.88
TFO	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID	A,P	1T03	0.71
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.75
2BP	9H-purin-2-amine	A	3G4M	0.88
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.89
GUN	GUANINE	A,B	1IT7	0.7
GUN	GUANINE	A,B,C,D	3BP1	0.7
GUN	GUANINE	A	1XT4	0.7
GUN	GUANINE	A	1ULB	0.7
GUN	GUANINE	A,B	2I9U	0.7
GUN	GUANINE	A	2JH9	0.7
GUN	GUANINE	E	1V2H	0.7
GUN	GUANINE	A	2JHA	0.7
GUN	GUANINE	A,B,C,D	1A95	0.7
GUN	GUANINE	A,B,C	1XE7	0.7
GUN	GUANINE	A,B,C	1YQQ	0.7
GUN	GUANINE	A,B	1D6A	0.7
GUN	GUANINE	A	1WET	0.7
GUN	GUANINE	A	2PUF	0.7
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.7
GUN	GUANINE	A,B,C	1VMK	0.7
GUN	GUANINE	A,B,C	1YQU	0.7
GUN	GUANINE	A	2JHC	0.7
GUN	GUANINE	A	2JH8	0.7
GUN	GUANINE	A	2JHP	0.7
GUN	GUANINE	A	2PUC	0.7
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.7
GUN	GUANINE	A,B,C,D,E,F	2O74	0.7
GUN	GUANINE	A	2PWU	0.7
GUN	GUANINE	A	2OOD	0.7
GUN	GUANINE	A	2POT	0.7
BOA	2-BROMO-6-HYDROXY-PURINE	A	1M67	0.77
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.92
6GO	6-O-methylguanine	A	3FO6	0.77
6GO	6-O-methylguanine	A	3GES	0.77
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.78
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	1W1Q	0.86
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	2EXM	0.86
ADE	ADENINE	A	1WEI	0.98
ADE	ADENINE	A	2QLU	0.98
ADE	ADENINE	A,B	2H8G	0.98
ADE	ADENINE	A,B	1HQC	0.98
ADE	ADENINE	A	1AHA	0.98
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.98
ADE	ADENINE	A,B,D	1YXM	0.98
ADE	ADENINE	A	1CB0	0.98
ADE	ADENINE	A,B	2QTT	0.98
ADE	ADENINE	A,B,C	1XE8	0.98
ADE	ADENINE	A,B	1M2T	0.98
ADE	ADENINE	A	2P8N	0.98
ADE	ADENINE	A,B,C	2PQJ	0.98
ADE	ADENINE	A,B,C	1VRL	0.98
ADE	ADENINE	A,B	3BSF	0.98
ADE	ADENINE	X	1Y26	0.98
ADE	ADENINE	A,B	1ZN7	0.98
ADE	ADENINE	A,B	1Z5N	0.98
ADE	ADENINE	A	1QB7	0.98
ADE	ADENINE	A	1LU1	0.98
ADE	ADENINE	A,B	1Q8Y	0.98
ADE	ADENINE	A	2QES	0.98
ADE	ADENINE	A	2PUB	0.98
ADE	ADENINE	A	1Z8D	0.98
ADE	ADENINE	A	1JH8	0.98
ADE	ADENINE	A	1QD2	0.98
ADE	ADENINE	A	2ICS	0.98
ADE	ADENINE	A	1IFS	0.98
ADE	ADENINE	A	1NLI	0.98
ADE	ADENINE	A,B	1D2A	0.98
ADE	ADENINE	A	1GIU	0.98
ADE	ADENINE	A	1J1R	0.98
ADE	ADENINE	A	2QET	0.98
ADE	ADENINE	A,B,C	1OD4	0.98
ADE	ADENINE	A,B	1QCI	0.98
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.98
ADE	ADENINE	A,B	1JYS	0.98
ADE	ADENINE	A	1LPD	0.98
ADE	ADENINE	A,B	1OD2	0.98
ADE	ADENINE	A	1WTA	0.98
ADE	ADENINE	A,B,C	1S2D	0.98
ADE	ADENINE	A	1MUD	0.98
ADE	ADENINE	A	2PUE	0.98
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL	A,B	1I5V	0.75
5HG	{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID	A,B	2G1A	0.73
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.8
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.9
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE	A,B	1ZOT	0.72
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE	A,B,C,D,E,F	1PK0	0.72
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.75
M01	1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine	A	2VNW	0.83
TEP	THEOPHYLLINE	A	1EHT	0.72
TEP	THEOPHYLLINE	A,B	2A3A	0.72
TEP	THEOPHYLLINE	A	1O15	0.72
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B,C,D	2FLH	0.78
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B,C,D	3C0V	0.78
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A	2QIM	0.78
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B	3D7W	0.78
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A	1W1R	0.78
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.84
XAN	XANTHINE	A	3GAO	0.74
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.74
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.74
XAN	XANTHINE	A	2UZ9	0.74
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.74
XAN	XANTHINE	A,B,C,D	1A96	0.74
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.83
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.83
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.94
ZEZ	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B	3D7W	0.78
XX1	N~6~-7H-PURIN-6-YL-L-LYSINE	A,B,C,D	2OQF	0.73
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.98
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.94
PM6	9H-purine-6-thiol	A,B	3BGD	0.88
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM	A,B	1PU7	0.88
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.72
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.76
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.71
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.86
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.73
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.76
HPA	HYPOXANTHINE	A	1PNR	0.7
HPA	HYPOXANTHINE	A	2EET	0.7
HPA	HYPOXANTHINE	A	2PUG	0.7
HPA	HYPOXANTHINE	A	1A9T	0.7
HPA	HYPOXANTHINE	A	1BDI	0.7
HPA	HYPOXANTHINE	A	1QQA	0.7
HPA	HYPOXANTHINE	A	1VFN	0.7
HPA	HYPOXANTHINE	A	1VPW	0.7
HPA	HYPOXANTHINE	A	2EEV	0.7
HPA	HYPOXANTHINE	A	1A9Q	0.7
HPA	HYPOXANTHINE	A	1A9R	0.7
HPA	HYPOXANTHINE	A	2EEU	0.7
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.7
HPA	HYPOXANTHINE	A	1JFT	0.7
HPA	HYPOXANTHINE	A	2EEW	0.7
HPA	HYPOXANTHINE	A	2PUD	0.7
HPA	HYPOXANTHINE	A	1QP7	0.7
HPA	HYPOXANTHINE	A,M	1ZAY	0.7
HPA	HYPOXANTHINE	A	1JH9	0.7
HPA	HYPOXANTHINE	A	2EES	0.7
HPA	HYPOXANTHINE	A	1JFS	0.7
HPA	HYPOXANTHINE	A	1QP0	0.7
HPA	HYPOXANTHINE	A	1QPZ	0.7
HPA	HYPOXANTHINE	A	1U8D	0.7
HPA	HYPOXANTHINE	A	1QQB	0.7
HPA	HYPOXANTHINE	A	1BDH	0.7
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.7
HPA	HYPOXANTHINE	A	1QP4	0.7
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.7
DX4	2-amino-1,9-dihydro-6H-purine-6-thione	A,B,C,D	3BMG	0.77
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.87
6GU	6-chloroguanine	A	3FO4	0.91
6GU	6-chloroguanine	A	3GOG	0.91
6GU	6-chloroguanine	A	3GER	0.91
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LVU	0.72
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LV8	0.72
9MG	9-METHYLGUANINE	A	1RRW	0.73
ZAD	(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE	A	2JJA	0.7