Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00829662

Ligand	Ligand name	Chain	PDB	Tanimoto
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.76
ANG	8-AMINOGUANINE	A,C	1M3Q	0.82
ANG	8-AMINOGUANINE	A,E	1LWV	0.82
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.95
TEP	THEOPHYLLINE	A	1EHT	0.92
TEP	THEOPHYLLINE	A,B	2A3A	0.92
TEP	THEOPHYLLINE	A	1O15	0.92
XAN	XANTHINE	A	3GAO	0.9
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.9
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.9
XAN	XANTHINE	A	2UZ9	0.9
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.9
XAN	XANTHINE	A,B,C,D	1A96	0.9
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	0.7
HPA	HYPOXANTHINE	A	1PNR	0.81
HPA	HYPOXANTHINE	A	2EET	0.81
HPA	HYPOXANTHINE	A	2PUG	0.81
HPA	HYPOXANTHINE	A	1A9T	0.81
HPA	HYPOXANTHINE	A	1BDI	0.81
HPA	HYPOXANTHINE	A	1QQA	0.81
HPA	HYPOXANTHINE	A	1VFN	0.81
HPA	HYPOXANTHINE	A	1VPW	0.81
HPA	HYPOXANTHINE	A	2EEV	0.81
HPA	HYPOXANTHINE	A	1A9Q	0.81
HPA	HYPOXANTHINE	A	1A9R	0.81
HPA	HYPOXANTHINE	A	2EEU	0.81
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.81
HPA	HYPOXANTHINE	A	1JFT	0.81
HPA	HYPOXANTHINE	A	2EEW	0.81
HPA	HYPOXANTHINE	A	2PUD	0.81
HPA	HYPOXANTHINE	A	1QP7	0.81
HPA	HYPOXANTHINE	A,M	1ZAY	0.81
HPA	HYPOXANTHINE	A	1JH9	0.81
HPA	HYPOXANTHINE	A	2EES	0.81
HPA	HYPOXANTHINE	A	1JFS	0.81
HPA	HYPOXANTHINE	A	1QP0	0.81
HPA	HYPOXANTHINE	A	1QPZ	0.81
HPA	HYPOXANTHINE	A	1U8D	0.81
HPA	HYPOXANTHINE	A	1QQB	0.81
HPA	HYPOXANTHINE	A	1BDH	0.81
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.81
HPA	HYPOXANTHINE	A	1QP4	0.81
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.81
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.96
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.71
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.71
CFF	CAFFEINE	A,B	1L5Q	0.85
CFF	CAFFEINE	A,B	2A3B	0.85
CFF	CAFFEINE	A,B	1L7X	0.85
CFF	CAFFEINE	A	1GFZ	0.85
CFF	CAFFEINE	A,B	3DDW	0.85
CFF	CAFFEINE	A,B	3DD1	0.85
CFF	CAFFEINE	A,B	3DDS	0.85
CFF	CAFFEINE	A	1C8L	0.85
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.87
GUN	GUANINE	A,B	1IT7	0.81
GUN	GUANINE	A,B,C,D	3BP1	0.81
GUN	GUANINE	A	1XT4	0.81
GUN	GUANINE	A	1ULB	0.81
GUN	GUANINE	A,B	2I9U	0.81
GUN	GUANINE	A	2JH9	0.81
GUN	GUANINE	E	1V2H	0.81
GUN	GUANINE	A	2JHA	0.81
GUN	GUANINE	A,B,C,D	1A95	0.81
GUN	GUANINE	A,B,C	1XE7	0.81
GUN	GUANINE	A,B,C	1YQQ	0.81
GUN	GUANINE	A,B	1D6A	0.81
GUN	GUANINE	A	1WET	0.81
GUN	GUANINE	A	2PUF	0.81
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.81
GUN	GUANINE	A,B,C	1VMK	0.81
GUN	GUANINE	A,B,C	1YQU	0.81
GUN	GUANINE	A	2JHC	0.81
GUN	GUANINE	A	2JH8	0.81
GUN	GUANINE	A	2JHP	0.81
GUN	GUANINE	A	2PUC	0.81
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.81
GUN	GUANINE	A,B,C,D,E,F	2O74	0.81
GUN	GUANINE	A	2PWU	0.81
GUN	GUANINE	A	2OOD	0.81
GUN	GUANINE	A	2POT	0.81
AZA	8-AZAXANTHINE	A	3BK8	0.71
AZA	8-AZAXANTHINE	A	2ICQ	0.71
AZA	8-AZAXANTHINE	A	2PES	0.71
AZA	8-AZAXANTHINE	A	2IC0	0.71
AZA	8-AZAXANTHINE	A,B,C,D,E,F,G,H	2YZD	0.71
AZA	8-AZAXANTHINE	A,B,C,D	1J2G	0.71
AZA	8-AZAXANTHINE	A,B,D,E,F,G,H	1VAY	0.71
AZA	8-AZAXANTHINE	A	2IBA	0.71
AZA	8-AZAXANTHINE	A	2FUB	0.71
AZA	8-AZAXANTHINE	A	2ZKB	0.71
AZA	8-AZAXANTHINE	A	1R51	0.71
AZA	8-AZAXANTHINE	A	3CKS	0.71
AZA	8-AZAXANTHINE	A,B	2H0F	0.71
AZA	8-AZAXANTHINE	A	3CKU	0.71
AZA	8-AZAXANTHINE	A	2ZKA	0.71
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.72
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.72
37T	THEOBROMINE	A	2EFJ	0.88
BRG	8-BROMOGUANINE	A,E	1LWW	0.85
AMR	3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE	A	1F5L	0.71
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.8
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.84
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.84