MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01016253

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.82
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.82
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.72
ZEZ	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B	3D7W	0.79
PM6	9H-purine-6-thiol	A,B	3BGD	0.77
L21	3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine	A,B	2W6Z	0.75
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.76
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.76
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.86
EH9	(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan- 2-ol	A	2Z7G	0.72
37T	THEOBROMINE	A	2EFJ	0.73
5HG	{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID	A,B	2G1A	0.75
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.75
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.75
6GO	6-O-methylguanine	A	3FO6	0.72
6GO	6-O-methylguanine	A	3GES	0.72
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.86
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL- DIPHOSPHATE	A,B	1ZOT	0.73
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL- DIPHOSPHATE	A,B,C,D,E,F	1PK0	0.73
6MP	6-METHYLPURINE	A,B,C	1OU4	0.8
6MP	6-METHYLPURINE	A,B,C	1OTY	0.8
6MP	6-METHYLPURINE	A	2PUA	0.8
TEP	THEOPHYLLINE	A	1EHT	0.78
TEP	THEOPHYLLINE	A,B	2A3A	0.78
TEP	THEOPHYLLINE	A	1O15	0.78
2BP	9H-purin-2-amine	A	3G4M	0.8
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.74
ADE	ADENINE	A	1WEI	0.84
ADE	ADENINE	A	2QLU	0.84
ADE	ADENINE	A,B	2H8G	0.84
ADE	ADENINE	A,B	1HQC	0.84
ADE	ADENINE	A	1AHA	0.84
ADE	ADENINE	A,B,C,D,E,F, G,H	1BJQ	0.84
ADE	ADENINE	A,B,D	1YXM	0.84
ADE	ADENINE	A	1CB0	0.84
ADE	ADENINE	A,B	2QTT	0.84
ADE	ADENINE	A,B,C	1XE8	0.84
ADE	ADENINE	A,B	1M2T	0.84
ADE	ADENINE	A	2P8N	0.84
ADE	ADENINE	A,B,C	2PQJ	0.84
ADE	ADENINE	A,B,C	1VRL	0.84
ADE	ADENINE	A,B	3BSF	0.84
ADE	ADENINE	X	1Y26	0.84
ADE	ADENINE	A,B	1ZN7	0.84
ADE	ADENINE	A,B	1Z5N	0.84
ADE	ADENINE	A	1QB7	0.84
ADE	ADENINE	A	1LU1	0.84
ADE	ADENINE	A,B	1Q8Y	0.84
ADE	ADENINE	A	2QES	0.84
ADE	ADENINE	A	2PUB	0.84
ADE	ADENINE	A	1Z8D	0.84
ADE	ADENINE	A	1JH8	0.84
ADE	ADENINE	A	1QD2	0.84
ADE	ADENINE	A	2ICS	0.84
ADE	ADENINE	A	1IFS	0.84
ADE	ADENINE	A	1NLI	0.84
ADE	ADENINE	A,B	1D2A	0.84
ADE	ADENINE	A	1GIU	0.84
ADE	ADENINE	A	1J1R	0.84
ADE	ADENINE	A	2QET	0.84
ADE	ADENINE	A,B,C	1OD4	0.84
ADE	ADENINE	A,B	1QCI	0.84
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.84
ADE	ADENINE	A,B	1JYS	0.84
ADE	ADENINE	A	1LPD	0.84
ADE	ADENINE	A,B	1OD2	0.84
ADE	ADENINE	A	1WTA	0.84
ADE	ADENINE	A,B,C	1S2D	0.84
ADE	ADENINE	A	1MUD	0.84
ADE	ADENINE	A	2PUE	0.84
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
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.74
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.88
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	1W1Q	0.84
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	2EXM	0.84
HPA	HYPOXANTHINE	A	1PNR	0.71
HPA	HYPOXANTHINE	A	2EET	0.71
HPA	HYPOXANTHINE	A	2PUG	0.71
HPA	HYPOXANTHINE	A	1A9T	0.71
HPA	HYPOXANTHINE	A	1BDI	0.71
HPA	HYPOXANTHINE	A	1QQA	0.71
HPA	HYPOXANTHINE	A	1VFN	0.71
HPA	HYPOXANTHINE	A	1VPW	0.71
HPA	HYPOXANTHINE	A	2EEV	0.71
HPA	HYPOXANTHINE	A	1A9Q	0.71
HPA	HYPOXANTHINE	A	1A9R	0.71
HPA	HYPOXANTHINE	A	2EEU	0.71
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.71
HPA	HYPOXANTHINE	A	1JFT	0.71
HPA	HYPOXANTHINE	A	2EEW	0.71
HPA	HYPOXANTHINE	A	2PUD	0.71
HPA	HYPOXANTHINE	A	1QP7	0.71
HPA	HYPOXANTHINE	A,M	1ZAY	0.71
HPA	HYPOXANTHINE	A	1JH9	0.71
HPA	HYPOXANTHINE	A	2EES	0.71
HPA	HYPOXANTHINE	A	1JFS	0.71
HPA	HYPOXANTHINE	A	1QP0	0.71
HPA	HYPOXANTHINE	A	1QPZ	0.71
HPA	HYPOXANTHINE	A	1U8D	0.71
HPA	HYPOXANTHINE	A	1QQB	0.71
HPA	HYPOXANTHINE	A	1BDH	0.71
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.71
HPA	HYPOXANTHINE	A	1QP4	0.71
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.71
6GU	6-chloroguanine	A	3FO4	0.79
6GU	6-chloroguanine	A	3GOG	0.79
6GU	6-chloroguanine	A	3GER	0.79
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.82
XX1	N~6~-7H-PURIN-6-YL-L-LYSINE	A,B,C,D	2OQF	0.76
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.77
XAN	XANTHINE	A	3GAO	0.74
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.74
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.74
XAN	XANTHINE	A	2UZ9	0.74
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.74
XAN	XANTHINE	A,B,C,D	1A96	0.74
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LVU	0.75
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LV8	0.75
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.82
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.78
BOA	2-BROMO-6-HYDROXY-PURINE	A	1M67	0.71
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.8
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.81
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL	A,B	1I5V	0.8
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM	A,B	1PU7	0.81
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.72
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.72
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.72
ZAD	(S)-1'-(2',3'-DIHYDROXYPROPYL)- ADENINE	A	2JJA	0.72
A2F	2-fluoroadenine	A	3GOT	0.83
A2F	2-fluoroadenine	A,B,C	3GB9	0.83
M01	1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine	A	2VNW	0.85
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.84
TNV	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL- TRIPHOSPHATE	A,B,P	1T05	0.73
A66	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.74
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B,C,D	2FLH	0.79
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B,C,D	3C0V	0.79
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A	2QIM	0.79
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B	3D7W	0.79
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A	1W1R	0.79
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.79
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.8
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.8
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.79
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.8
TFO	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID	A,P	1T03	0.74