Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231254

Ligand	Ligand name	Chain	PDB	Tanimoto
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.7
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.72
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.73
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.72
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	1W1Q	0.72
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE	A	2EXM	0.72
HPA	HYPOXANTHINE	A	1PNR	0.82
HPA	HYPOXANTHINE	A	2EET	0.82
HPA	HYPOXANTHINE	A	2PUG	0.82
HPA	HYPOXANTHINE	A	1A9T	0.82
HPA	HYPOXANTHINE	A	1BDI	0.82
HPA	HYPOXANTHINE	A	1QQA	0.82
HPA	HYPOXANTHINE	A	1VFN	0.82
HPA	HYPOXANTHINE	A	1VPW	0.82
HPA	HYPOXANTHINE	A	2EEV	0.82
HPA	HYPOXANTHINE	A	1A9Q	0.82
HPA	HYPOXANTHINE	A	1A9R	0.82
HPA	HYPOXANTHINE	A	2EEU	0.82
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.82
HPA	HYPOXANTHINE	A	1JFT	0.82
HPA	HYPOXANTHINE	A	2EEW	0.82
HPA	HYPOXANTHINE	A	2PUD	0.82
HPA	HYPOXANTHINE	A	1QP7	0.82
HPA	HYPOXANTHINE	A,M	1ZAY	0.82
HPA	HYPOXANTHINE	A	1JH9	0.82
HPA	HYPOXANTHINE	A	2EES	0.82
HPA	HYPOXANTHINE	A	1JFS	0.82
HPA	HYPOXANTHINE	A	1QP0	0.82
HPA	HYPOXANTHINE	A	1QPZ	0.82
HPA	HYPOXANTHINE	A	1U8D	0.82
HPA	HYPOXANTHINE	A	1QQB	0.82
HPA	HYPOXANTHINE	A	1BDH	0.82
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.82
HPA	HYPOXANTHINE	A	1QP4	0.82
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.82
ADE	ADENINE	A	1WEI	0.78
ADE	ADENINE	A	2QLU	0.78
ADE	ADENINE	A,B	2H8G	0.78
ADE	ADENINE	A,B	1HQC	0.78
ADE	ADENINE	A	1AHA	0.78
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.78
ADE	ADENINE	A,B,D	1YXM	0.78
ADE	ADENINE	A	1CB0	0.78
ADE	ADENINE	A,B	2QTT	0.78
ADE	ADENINE	A,B,C	1XE8	0.78
ADE	ADENINE	A,B	1M2T	0.78
ADE	ADENINE	A	2P8N	0.78
ADE	ADENINE	A,B,C	2PQJ	0.78
ADE	ADENINE	A,B,C	1VRL	0.78
ADE	ADENINE	A,B	3BSF	0.78
ADE	ADENINE	X	1Y26	0.78
ADE	ADENINE	A,B	1ZN7	0.78
ADE	ADENINE	A,B	1Z5N	0.78
ADE	ADENINE	A	1QB7	0.78
ADE	ADENINE	A	1LU1	0.78
ADE	ADENINE	A,B	1Q8Y	0.78
ADE	ADENINE	A	2QES	0.78
ADE	ADENINE	A	2PUB	0.78
ADE	ADENINE	A	1Z8D	0.78
ADE	ADENINE	A	1JH8	0.78
ADE	ADENINE	A	1QD2	0.78
ADE	ADENINE	A	2ICS	0.78
ADE	ADENINE	A	1IFS	0.78
ADE	ADENINE	A	1NLI	0.78
ADE	ADENINE	A,B	1D2A	0.78
ADE	ADENINE	A	1GIU	0.78
ADE	ADENINE	A	1J1R	0.78
ADE	ADENINE	A	2QET	0.78
ADE	ADENINE	A,B,C	1OD4	0.78
ADE	ADENINE	A,B	1QCI	0.78
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.78
ADE	ADENINE	A,B	1JYS	0.78
ADE	ADENINE	A	1LPD	0.78
ADE	ADENINE	A,B	1OD2	0.78
ADE	ADENINE	A	1WTA	0.78
ADE	ADENINE	A,B,C	1S2D	0.78
ADE	ADENINE	A	1MUD	0.78
ADE	ADENINE	A	2PUE	0.78
37T	THEOBROMINE	A	2EFJ	0.74
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.71
PM6	9H-purine-6-thiol	A,B	3BGD	0.7
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.71
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM	A,B	1PU7	0.74
CFF	CAFFEINE	A,B	1L5Q	0.71
CFF	CAFFEINE	A,B	2A3B	0.71
CFF	CAFFEINE	A,B	1L7X	0.71
CFF	CAFFEINE	A	1GFZ	0.71
CFF	CAFFEINE	A,B	3DDW	0.71
CFF	CAFFEINE	A,B	3DD1	0.71
CFF	CAFFEINE	A,B	3DDS	0.71
CFF	CAFFEINE	A	1C8L	0.71
GUN	GUANINE	A,B	1IT7	0.84
GUN	GUANINE	A,B,C,D	3BP1	0.84
GUN	GUANINE	A	1XT4	0.84
GUN	GUANINE	A	1ULB	0.84
GUN	GUANINE	A,B	2I9U	0.84
GUN	GUANINE	A	2JH9	0.84
GUN	GUANINE	E	1V2H	0.84
GUN	GUANINE	A	2JHA	0.84
GUN	GUANINE	A,B,C,D	1A95	0.84
GUN	GUANINE	A,B,C	1XE7	0.84
GUN	GUANINE	A,B,C	1YQQ	0.84
GUN	GUANINE	A,B	1D6A	0.84
GUN	GUANINE	A	1WET	0.84
GUN	GUANINE	A	2PUF	0.84
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.84
GUN	GUANINE	A,B,C	1VMK	0.84
GUN	GUANINE	A,B,C	1YQU	0.84
GUN	GUANINE	A	2JHC	0.84
GUN	GUANINE	A	2JH8	0.84
GUN	GUANINE	A	2JHP	0.84
GUN	GUANINE	A	2PUC	0.84
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.84
GUN	GUANINE	A,B,C,D,E,F	2O74	0.84
GUN	GUANINE	A	2PWU	0.84
GUN	GUANINE	A	2OOD	0.84
GUN	GUANINE	A	2POT	0.84
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.77
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.77
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.71
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.71
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.75
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.75
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.75
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.7
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.7
6GU	6-chloroguanine	A	3FO4	0.73
6GU	6-chloroguanine	A	3GOG	0.73
6GU	6-chloroguanine	A	3GER	0.73
2BP	9H-purin-2-amine	A	3G4M	0.7
A2F	2-fluoroadenine	A	3GOT	0.76
A2F	2-fluoroadenine	A,B,C	3GB9	0.76
6MP	6-METHYLPURINE	A,B,C	1OU4	0.72
6MP	6-METHYLPURINE	A,B,C	1OTY	0.72
6MP	6-METHYLPURINE	A	2PUA	0.72
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.78
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.72
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.71
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	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
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.71
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.8
BRG	8-BROMOGUANINE	A,E	1LWW	0.75
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.71
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
290	6-methyl-3,9-dihydro-2H-purin-2-one	A,B,C,I,J,K	3B9J	0.87
ANG	8-AMINOGUANINE	A,C	1M3Q	0.77
ANG	8-AMINOGUANINE	A,E	1LWV	0.77
DX4	2-amino-1,9-dihydro-6H-purine-6-thione	A,B,C,D	3BMG	0.86
TEP	THEOPHYLLINE	A	1EHT	0.79
TEP	THEOPHYLLINE	A,B	2A3A	0.79
TEP	THEOPHYLLINE	A	1O15	0.79
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.8
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.71