Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017685

Ligand	Ligand name	Chain	PDB	Tanimoto
TEP	THEOPHYLLINE	A	1EHT	0.75
TEP	THEOPHYLLINE	A,B	2A3A	0.75
TEP	THEOPHYLLINE	A	1O15	0.75
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.73
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.77
6GU	6-chloroguanine	A	3FO4	0.8
6GU	6-chloroguanine	A	3GOG	0.8
6GU	6-chloroguanine	A	3GER	0.8
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.7
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.79
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.74
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	1W1Q	0.75
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	2EXM	0.75
NDM	7,9-DIMETHYLGUANINE	A	1JSZ	0.71
ADE	ADENINE	A	1WEI	0.85
ADE	ADENINE	A	2QLU	0.85
ADE	ADENINE	A,B	2H8G	0.85
ADE	ADENINE	A,B	1HQC	0.85
ADE	ADENINE	A	1AHA	0.85
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.85
ADE	ADENINE	A,B,D	1YXM	0.85
ADE	ADENINE	A	1CB0	0.85
ADE	ADENINE	A,B	2QTT	0.85
ADE	ADENINE	A,B,C	1XE8	0.85
ADE	ADENINE	A,B	1M2T	0.85
ADE	ADENINE	A	2P8N	0.85
ADE	ADENINE	A,B,C	2PQJ	0.85
ADE	ADENINE	A,B,C	1VRL	0.85
ADE	ADENINE	A,B	3BSF	0.85
ADE	ADENINE	X	1Y26	0.85
ADE	ADENINE	A,B	1ZN7	0.85
ADE	ADENINE	A,B	1Z5N	0.85
ADE	ADENINE	A	1QB7	0.85
ADE	ADENINE	A	1LU1	0.85
ADE	ADENINE	A,B	1Q8Y	0.85
ADE	ADENINE	A	2QES	0.85
ADE	ADENINE	A	2PUB	0.85
ADE	ADENINE	A	1Z8D	0.85
ADE	ADENINE	A	1JH8	0.85
ADE	ADENINE	A	1QD2	0.85
ADE	ADENINE	A	2ICS	0.85
ADE	ADENINE	A	1IFS	0.85
ADE	ADENINE	A	1NLI	0.85
ADE	ADENINE	A,B	1D2A	0.85
ADE	ADENINE	A	1GIU	0.85
ADE	ADENINE	A	1J1R	0.85
ADE	ADENINE	A	2QET	0.85
ADE	ADENINE	A,B,C	1OD4	0.85
ADE	ADENINE	A,B	1QCI	0.85
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.85
ADE	ADENINE	A,B	1JYS	0.85
ADE	ADENINE	A	1LPD	0.85
ADE	ADENINE	A,B	1OD2	0.85
ADE	ADENINE	A	1WTA	0.85
ADE	ADENINE	A,B,C	1S2D	0.85
ADE	ADENINE	A	1MUD	0.85
ADE	ADENINE	A	2PUE	0.85
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.77
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.74
GUN	GUANINE	A,B	1IT7	0.73
GUN	GUANINE	A,B,C,D	3BP1	0.73
GUN	GUANINE	A	1XT4	0.73
GUN	GUANINE	A	1ULB	0.73
GUN	GUANINE	A,B	2I9U	0.73
GUN	GUANINE	A	2JH9	0.73
GUN	GUANINE	E	1V2H	0.73
GUN	GUANINE	A	2JHA	0.73
GUN	GUANINE	A,B,C,D	1A95	0.73
GUN	GUANINE	A,B,C	1XE7	0.73
GUN	GUANINE	A,B,C	1YQQ	0.73
GUN	GUANINE	A,B	1D6A	0.73
GUN	GUANINE	A	1WET	0.73
GUN	GUANINE	A	2PUF	0.73
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.73
GUN	GUANINE	A,B,C	1VMK	0.73
GUN	GUANINE	A,B,C	1YQU	0.73
GUN	GUANINE	A	2JHC	0.73
GUN	GUANINE	A	2JH8	0.73
GUN	GUANINE	A	2JHP	0.73
GUN	GUANINE	A	2PUC	0.73
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.73
GUN	GUANINE	A,B,C,D,E,F	2O74	0.73
GUN	GUANINE	A	2PWU	0.73
GUN	GUANINE	A	2OOD	0.73
GUN	GUANINE	A	2POT	0.73
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.77
4MZ	4-METHYLIMIDAZOLE	A	1DTM	0.7
4MZ	4-METHYLIMIDAZOLE	A,B	1KEQ	0.7
4MZ	4-METHYLIMIDAZOLE	A	2FNN	0.7
4MZ	4-METHYLIMIDAZOLE	A	1MOO	0.7
4MZ	4-METHYLIMIDAZOLE	A	1G0E	0.7
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.78
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.78
HPA	HYPOXANTHINE	A	1PNR	0.73
HPA	HYPOXANTHINE	A	2EET	0.73
HPA	HYPOXANTHINE	A	2PUG	0.73
HPA	HYPOXANTHINE	A	1A9T	0.73
HPA	HYPOXANTHINE	A	1BDI	0.73
HPA	HYPOXANTHINE	A	1QQA	0.73
HPA	HYPOXANTHINE	A	1VFN	0.73
HPA	HYPOXANTHINE	A	1VPW	0.73
HPA	HYPOXANTHINE	A	2EEV	0.73
HPA	HYPOXANTHINE	A	1A9Q	0.73
HPA	HYPOXANTHINE	A	1A9R	0.73
HPA	HYPOXANTHINE	A	2EEU	0.73
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.73
HPA	HYPOXANTHINE	A	1JFT	0.73
HPA	HYPOXANTHINE	A	2EEW	0.73
HPA	HYPOXANTHINE	A	2PUD	0.73
HPA	HYPOXANTHINE	A	1QP7	0.73
HPA	HYPOXANTHINE	A,M	1ZAY	0.73
HPA	HYPOXANTHINE	A	1JH9	0.73
HPA	HYPOXANTHINE	A	2EES	0.73
HPA	HYPOXANTHINE	A	1JFS	0.73
HPA	HYPOXANTHINE	A	1QP0	0.73
HPA	HYPOXANTHINE	A	1QPZ	0.73
HPA	HYPOXANTHINE	A	1U8D	0.73
HPA	HYPOXANTHINE	A	1QQB	0.73
HPA	HYPOXANTHINE	A	1BDH	0.73
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.73
HPA	HYPOXANTHINE	A	1QP4	0.73
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.73
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.75
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.82
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.82
2BP	9H-purin-2-amine	A	3G4M	0.77
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.77
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	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
M01	1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine	A	2VNW	0.72
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM	A,B	1PU7	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	0.77
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.77
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.77
XAN	XANTHINE	A	2UZ9	0.77
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.77
XAN	XANTHINE	A,B,C,D	1A96	0.77
A2F	2-fluoroadenine	A	3GOT	0.83
A2F	2-fluoroadenine	A,B,C	3GB9	0.83
DX4	2-amino-1,9-dihydro-6H-purine-6-thione	A,B,C,D	3BMG	0.91
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.73
290	6-methyl-3,9-dihydro-2H-purin-2-one	A,B,C,I,J,K	3B9J	0.71
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.82
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.82
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.85
PM6	9H-purine-6-thiol	A,B	3BGD	0.8
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.76