Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458431

Ligand	Ligand name	Chain	PDB	Tanimoto
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.73
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.76
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.76
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.73
M01	1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine	A	2VNW	0.76
BOA	2-BROMO-6-HYDROXY-PURINE	A	1M67	0.7
TEP	THEOPHYLLINE	A	1EHT	0.73
TEP	THEOPHYLLINE	A,B	2A3A	0.73
TEP	THEOPHYLLINE	A	1O15	0.73
ZEZ	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B	3D7W	0.76
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM	A,B	1PU7	0.78
6GO	6-O-methylguanine	A	3FO6	0.72
6GO	6-O-methylguanine	A	3GES	0.72
6MP	6-METHYLPURINE	A,B,C	1OU4	0.79
6MP	6-METHYLPURINE	A,B,C	1OTY	0.79
6MP	6-METHYLPURINE	A	2PUA	0.79
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.77
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.78
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL	A,B	1I5V	0.72
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.83
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.72
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.72
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.84
6GU	6-chloroguanine	A	3FO4	0.79
6GU	6-chloroguanine	A	3GOG	0.79
6GU	6-chloroguanine	A	3GER	0.79
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.84
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.82
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.78
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.74
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.78
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.71
2BP	9H-purin-2-amine	A	3G4M	0.77
XX1	N~6~-7H-PURIN-6-YL-L-LYSINE	A,B,C,D	2OQF	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.72
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.72
PM6	9H-purine-6-thiol	A,B	3BGD	0.76
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.71
XAN	XANTHINE	A	3GAO	0.72
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.72
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.72
XAN	XANTHINE	A	2UZ9	0.72
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.72
XAN	XANTHINE	A,B,C,D	1A96	0.72
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.78
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.76
ADE	ADENINE	A	1WEI	0.83
ADE	ADENINE	A	2QLU	0.83
ADE	ADENINE	A,B	2H8G	0.83
ADE	ADENINE	A,B	1HQC	0.83
ADE	ADENINE	A	1AHA	0.83
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.83
ADE	ADENINE	A,B,D	1YXM	0.83
ADE	ADENINE	A	1CB0	0.83
ADE	ADENINE	A,B	2QTT	0.83
ADE	ADENINE	A,B,C	1XE8	0.83
ADE	ADENINE	A,B	1M2T	0.83
ADE	ADENINE	A	2P8N	0.83
ADE	ADENINE	A,B,C	2PQJ	0.83
ADE	ADENINE	A,B,C	1VRL	0.83
ADE	ADENINE	A,B	3BSF	0.83
ADE	ADENINE	X	1Y26	0.83
ADE	ADENINE	A,B	1ZN7	0.83
ADE	ADENINE	A,B	1Z5N	0.83
ADE	ADENINE	A	1QB7	0.83
ADE	ADENINE	A	1LU1	0.83
ADE	ADENINE	A,B	1Q8Y	0.83
ADE	ADENINE	A	2QES	0.83
ADE	ADENINE	A	2PUB	0.83
ADE	ADENINE	A	1Z8D	0.83
ADE	ADENINE	A	1JH8	0.83
ADE	ADENINE	A	1QD2	0.83
ADE	ADENINE	A	2ICS	0.83
ADE	ADENINE	A	1IFS	0.83
ADE	ADENINE	A	1NLI	0.83
ADE	ADENINE	A,B	1D2A	0.83
ADE	ADENINE	A	1GIU	0.83
ADE	ADENINE	A	1J1R	0.83
ADE	ADENINE	A	2QET	0.83
ADE	ADENINE	A,B,C	1OD4	0.83
ADE	ADENINE	A,B	1QCI	0.83
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.83
ADE	ADENINE	A,B	1JYS	0.83
ADE	ADENINE	A	1LPD	0.83
ADE	ADENINE	A,B	1OD2	0.83
ADE	ADENINE	A	1WTA	0.83
ADE	ADENINE	A,B,C	1S2D	0.83
ADE	ADENINE	A	1MUD	0.83
ADE	ADENINE	A	2PUE	0.83
A2F	2-fluoroadenine	A	3GOT	0.82
A2F	2-fluoroadenine	A,B,C	3GB9	0.82
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
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B,C,D	2FLH	0.76
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B,C,D	3C0V	0.76
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A	2QIM	0.76
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A,B	3D7W	0.76
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol	A	1W1R	0.76