Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00601194

Ligand	Ligand name	Chain	PDB	Tanimoto
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.81
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.81
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.91
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.91
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.79
GUN	GUANINE	A,B	1IT7	0.78
GUN	GUANINE	A,B,C,D	3BP1	0.78
GUN	GUANINE	A	1XT4	0.78
GUN	GUANINE	A	1ULB	0.78
GUN	GUANINE	A,B	2I9U	0.78
GUN	GUANINE	A	2JH9	0.78
GUN	GUANINE	E	1V2H	0.78
GUN	GUANINE	A	2JHA	0.78
GUN	GUANINE	A,B,C,D	1A95	0.78
GUN	GUANINE	A,B,C	1XE7	0.78
GUN	GUANINE	A,B,C	1YQQ	0.78
GUN	GUANINE	A,B	1D6A	0.78
GUN	GUANINE	A	1WET	0.78
GUN	GUANINE	A	2PUF	0.78
GUN	GUANINE	A,B,D,F,G,H,I,J,L,M,O,P	1SQL	0.78
GUN	GUANINE	A,B,C	1VMK	0.78
GUN	GUANINE	A,B,C	1YQU	0.78
GUN	GUANINE	A	2JHC	0.78
GUN	GUANINE	A	2JH8	0.78
GUN	GUANINE	A	2JHP	0.78
GUN	GUANINE	A	2PUC	0.78
GUN	GUANINE	A,B,C,D,E,F,G,H	1XY3	0.78
GUN	GUANINE	A,B,C,D,E,F	2O74	0.78
GUN	GUANINE	A	2PWU	0.78
GUN	GUANINE	A	2OOD	0.78
GUN	GUANINE	A	2POT	0.78
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.78
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.95
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.8
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.8
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.7
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE	A	1FXU	0.72
AMR	3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE	A	1F5L	0.72
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.92
XAN	XANTHINE	A	3GAO	0.87
XAN	XANTHINE	2,3,4,A,B,C,J,K,L,S,T,U	3EUB	0.87
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.87
XAN	XANTHINE	A	2UZ9	0.87
XAN	XANTHINE	A,B,C,D,E,F,G,H	2W3S	0.87
XAN	XANTHINE	A,B,C,D	1A96	0.87
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.79
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D,E,F,G,H	1QPY	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1RRU	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1PDT	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1PUP	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	B	1NR8	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	1XJ9	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A	176D	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B,C,D	1HZS	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE	A,B	2K4G	0.75
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.77
ANG	8-AMINOGUANINE	A,C	1M3Q	0.79
ANG	8-AMINOGUANINE	A,E	1LWV	0.79
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
TEP	THEOPHYLLINE	A	1EHT	0.9
TEP	THEOPHYLLINE	A,B	2A3A	0.9
TEP	THEOPHYLLINE	A	1O15	0.9
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.71
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE	A,B	1KI3	0.71
BRG	8-BROMOGUANINE	A,E	1LWW	0.77
37T	THEOBROMINE	A	2EFJ	0.87
HPA	HYPOXANTHINE	A	1PNR	0.78
HPA	HYPOXANTHINE	A	2EET	0.78
HPA	HYPOXANTHINE	A	2PUG	0.78
HPA	HYPOXANTHINE	A	1A9T	0.78
HPA	HYPOXANTHINE	A	1BDI	0.78
HPA	HYPOXANTHINE	A	1QQA	0.78
HPA	HYPOXANTHINE	A	1VFN	0.78
HPA	HYPOXANTHINE	A	1VPW	0.78
HPA	HYPOXANTHINE	A	2EEV	0.78
HPA	HYPOXANTHINE	A	1A9Q	0.78
HPA	HYPOXANTHINE	A	1A9R	0.78
HPA	HYPOXANTHINE	A	2EEU	0.78
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W55	0.78
HPA	HYPOXANTHINE	A	1JFT	0.78
HPA	HYPOXANTHINE	A	2EEW	0.78
HPA	HYPOXANTHINE	A	2PUD	0.78
HPA	HYPOXANTHINE	A	1QP7	0.78
HPA	HYPOXANTHINE	A,M	1ZAY	0.78
HPA	HYPOXANTHINE	A	1JH9	0.78
HPA	HYPOXANTHINE	A	2EES	0.78
HPA	HYPOXANTHINE	A	1JFS	0.78
HPA	HYPOXANTHINE	A	1QP0	0.78
HPA	HYPOXANTHINE	A	1QPZ	0.78
HPA	HYPOXANTHINE	A	1U8D	0.78
HPA	HYPOXANTHINE	A	1QQB	0.78
HPA	HYPOXANTHINE	A	1BDH	0.78
HPA	HYPOXANTHINE	A,B,C,D,E,F,G,H	2W3R	0.78
HPA	HYPOXANTHINE	A	1QP4	0.78
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.78
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.72
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.72
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.7
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.7