Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02746604

Ligand	Ligand name	Chain	PDB	Tanimoto
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM	A,B	1PU7	0.77
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
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.74
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.71
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F,G,H,I,J,K,L	1SOJ	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.78
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.71
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.75
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.75
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL	A,B	1I5V	0.7
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE	A	1RS2	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.7
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.7
37T	THEOBROMINE	A	2EFJ	0.8
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D,E,F,G,H	1QPY	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1RRU	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1PDT	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1PUP	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	B	1NR8	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	1XJ9	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A	176D	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B,C,D	1HZS	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE	A,B	2K4G	0.73
DX4	2-amino-1,9-dihydro-6H-purine-6-thione	A,B,C,D	3BMG	0.75
ADE	ADENINE	A	1WEI	0.71
ADE	ADENINE	A	2QLU	0.71
ADE	ADENINE	A,B	2H8G	0.71
ADE	ADENINE	A,B	1HQC	0.71
ADE	ADENINE	A	1AHA	0.71
ADE	ADENINE	A,B,C,D,E,F,G,H	1BJQ	0.71
ADE	ADENINE	A,B,D	1YXM	0.71
ADE	ADENINE	A	1CB0	0.71
ADE	ADENINE	A,B	2QTT	0.71
ADE	ADENINE	A,B,C	1XE8	0.71
ADE	ADENINE	A,B	1M2T	0.71
ADE	ADENINE	A	2P8N	0.71
ADE	ADENINE	A,B,C	2PQJ	0.71
ADE	ADENINE	A,B,C	1VRL	0.71
ADE	ADENINE	A,B	3BSF	0.71
ADE	ADENINE	X	1Y26	0.71
ADE	ADENINE	A,B	1ZN7	0.71
ADE	ADENINE	A,B	1Z5N	0.71
ADE	ADENINE	A	1QB7	0.71
ADE	ADENINE	A	1LU1	0.71
ADE	ADENINE	A,B	1Q8Y	0.71
ADE	ADENINE	A	2QES	0.71
ADE	ADENINE	A	2PUB	0.71
ADE	ADENINE	A	1Z8D	0.71
ADE	ADENINE	A	1JH8	0.71
ADE	ADENINE	A	1QD2	0.71
ADE	ADENINE	A	2ICS	0.71
ADE	ADENINE	A	1IFS	0.71
ADE	ADENINE	A	1NLI	0.71
ADE	ADENINE	A,B	1D2A	0.71
ADE	ADENINE	A	1GIU	0.71
ADE	ADENINE	A	1J1R	0.71
ADE	ADENINE	A	2QET	0.71
ADE	ADENINE	A,B,C	1OD4	0.71
ADE	ADENINE	A,B	1QCI	0.71
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.71
ADE	ADENINE	A,B	1JYS	0.71
ADE	ADENINE	A	1LPD	0.71
ADE	ADENINE	A,B	1OD2	0.71
ADE	ADENINE	A	1WTA	0.71
ADE	ADENINE	A,B,C	1S2D	0.71
ADE	ADENINE	A	1MUD	0.71
ADE	ADENINE	A	2PUE	0.71
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.74
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	A	2UY3	0.71
NDM	7,9-DIMETHYLGUANINE	A	1JSZ	0.75
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
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.76
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LVU	0.7
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LV8	0.7
TEP	THEOPHYLLINE	A	1EHT	0.76
TEP	THEOPHYLLINE	A,B	2A3A	0.76
TEP	THEOPHYLLINE	A	1O15	0.76
CFF	CAFFEINE	A,B	1L5Q	0.78
CFF	CAFFEINE	A,B	2A3B	0.78
CFF	CAFFEINE	A,B	1L7X	0.78
CFF	CAFFEINE	A	1GFZ	0.78
CFF	CAFFEINE	A,B	3DDW	0.78
CFF	CAFFEINE	A,B	3DD1	0.78
CFF	CAFFEINE	A,B	3DDS	0.78
CFF	CAFFEINE	A	1C8L	0.78
L21	3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine	A,B	2W6Z	0.81
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.74
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.81
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.81