Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02903624

Ligand	Ligand name	Chain	PDB	Tanimoto
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.96
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.96
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.72
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM	A,B	1PU7	0.91
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.71
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.78
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.81
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.74
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.93
6GU	6-chloroguanine	A	3FO4	0.76
6GU	6-chloroguanine	A	3GOG	0.76
6GU	6-chloroguanine	A	3GER	0.76
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.85
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B,C,D	2FLH	0.72
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B,C,D	3C0V	0.72
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A	2QIM	0.72
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B	3D7W	0.72
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A	1W1R	0.72
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.77
CC5	BETA-D-ERYTHROFURANOSYL-ADENOSINE	A	2I2B	0.72
CC5	BETA-D-ERYTHROFURANOSYL-ADENOSINE	A,B,C	2CBX	0.72
5HG	{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID	A,B	2G1A	0.77
EH9	(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol	A	2Z7G	0.74
103		A,B,C	1CUL	0.7
5F1	5'-FLUORO-2',5'-DIDEOXYADENOSINE	A,B,C	2C5B	0.7
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.79
PM6	9H-purine-6-thiol	A,B	3BGD	0.73
TEP	THEOPHYLLINE	A	1EHT	0.72
TEP	THEOPHYLLINE	A,B	2A3A	0.72
TEP	THEOPHYLLINE	A	1O15	0.72
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.85
ZAD	(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE	A	2JJA	0.74
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.76
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.7
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.9
ZEZ	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B	3D7W	0.72
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.83
2BP	9H-purin-2-amine	A	3G4M	0.77
CFF	CAFFEINE	A,B	1L5Q	0.74
CFF	CAFFEINE	A,B	2A3B	0.74
CFF	CAFFEINE	A,B	1L7X	0.74
CFF	CAFFEINE	A	1GFZ	0.74
CFF	CAFFEINE	A,B	3DDW	0.74
CFF	CAFFEINE	A,B	3DD1	0.74
CFF	CAFFEINE	A,B	3DDS	0.74
CFF	CAFFEINE	A	1C8L	0.74
M01	1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine	A	2VNW	0.77
6MP	6-METHYLPURINE	A,B,C	1OU4	0.77
6MP	6-METHYLPURINE	A,B,C	1OTY	0.77
6MP	6-METHYLPURINE	A	2PUA	0.77
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.81
ADE	ADENINE	A	1WEI	0.81
ADE	ADENINE	A	2QLU	0.81
ADE	ADENINE	A,B	2H8G	0.81
ADE	ADENINE	A,B	1HQC	0.81
ADE	ADENINE	A	1AHA	0.81
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.81
ADE	ADENINE	A,B,D	1YXM	0.81
ADE	ADENINE	A	1CB0	0.81
ADE	ADENINE	A,B	2QTT	0.81
ADE	ADENINE	A,B,C	1XE8	0.81
ADE	ADENINE	A,B	1M2T	0.81
ADE	ADENINE	A	2P8N	0.81
ADE	ADENINE	A,B,C	2PQJ	0.81
ADE	ADENINE	A,B,C	1VRL	0.81
ADE	ADENINE	A,B	3BSF	0.81
ADE	ADENINE	X	1Y26	0.81
ADE	ADENINE	A,B	1ZN7	0.81
ADE	ADENINE	A,B	1Z5N	0.81
ADE	ADENINE	A	1QB7	0.81
ADE	ADENINE	A	1LU1	0.81
ADE	ADENINE	A,B	1Q8Y	0.81
ADE	ADENINE	A	2QES	0.81
ADE	ADENINE	A	2PUB	0.81
ADE	ADENINE	A	1Z8D	0.81
ADE	ADENINE	A	1JH8	0.81
ADE	ADENINE	A	1QD2	0.81
ADE	ADENINE	A	2ICS	0.81
ADE	ADENINE	A	1IFS	0.81
ADE	ADENINE	A	1NLI	0.81
ADE	ADENINE	A,B	1D2A	0.81
ADE	ADENINE	A	1GIU	0.81
ADE	ADENINE	A	1J1R	0.81
ADE	ADENINE	A	2QET	0.81
ADE	ADENINE	A,B,C	1OD4	0.81
ADE	ADENINE	A,B	1QCI	0.81
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.81
ADE	ADENINE	A,B	1JYS	0.81
ADE	ADENINE	A	1LPD	0.81
ADE	ADENINE	A,B	1OD2	0.81
ADE	ADENINE	A	1WTA	0.81
ADE	ADENINE	A,B,C	1S2D	0.81
ADE	ADENINE	A	1MUD	0.81
ADE	ADENINE	A	2PUE	0.81
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.75
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.83
TFO	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID	A,P	1T03	0.77
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.75
5AD	5'-DEOXYADENOSINE	A,B,C,D	1I9C	0.71
5AD	5'-DEOXYADENOSINE	B	1XRS	0.71
5AD	5'-DEOXYADENOSINE	A,B,C	2CC2	0.71
5AD	5'-DEOXYADENOSINE	A,B	2FB3	0.71
5AD	5'-DEOXYADENOSINE	A	3CI3	0.71
5AD	5'-DEOXYADENOSINE	A,B,C,D	4REQ	0.71
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.73
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.73
37T	THEOBROMINE	A	2EFJ	0.76
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LVU	0.78
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LV8	0.78
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.7
TNV	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE	A,B,P	1T05	0.75
DX4	2-amino-1,9-dihydro-6H-purine-6-thione	A,B,C,D	3BMG	0.72
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE	A,B	1ZOT	0.76
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE	A,B,C,D,E,F	1PK0	0.76
NDM	7,9-DIMETHYLGUANINE	A	1JSZ	0.78
A2F	2-fluoroadenine	A	3GOT	0.8
A2F	2-fluoroadenine	A,B,C	3GB9	0.8
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL	A,B	1I5V	0.76
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	1W1Q	0.8
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	2EXM	0.8
9MG	9-METHYLGUANINE	A	1RRW	0.73