MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250073

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
2BP	9H-purin-2-amine	A	3G4M	0.87
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.81
L21	3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine	A,B	2W6Z	0.75
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL	A,B	1I5V	0.74
6MP	6-METHYLPURINE	A,B,C	1OU4	0.87
6MP	6-METHYLPURINE	A,B,C	1OTY	0.87
6MP	6-METHYLPURINE	A	2PUA	0.87
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.77
5HG	{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID	A,B	2G1A	0.74
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.84
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.84
ADE	ADENINE	A	1WEI	0.97
ADE	ADENINE	A	2QLU	0.97
ADE	ADENINE	A,B	2H8G	0.97
ADE	ADENINE	A,B	1HQC	0.97
ADE	ADENINE	A	1AHA	0.97
ADE	ADENINE	A,B,C,D,E,F, G,H	1BJQ	0.97
ADE	ADENINE	A,B,D	1YXM	0.97
ADE	ADENINE	A	1CB0	0.97
ADE	ADENINE	A,B	2QTT	0.97
ADE	ADENINE	A,B,C	1XE8	0.97
ADE	ADENINE	A,B	1M2T	0.97
ADE	ADENINE	A	2P8N	0.97
ADE	ADENINE	A,B,C	2PQJ	0.97
ADE	ADENINE	A,B,C	1VRL	0.97
ADE	ADENINE	A,B	3BSF	0.97
ADE	ADENINE	X	1Y26	0.97
ADE	ADENINE	A,B	1ZN7	0.97
ADE	ADENINE	A,B	1Z5N	0.97
ADE	ADENINE	A	1QB7	0.97
ADE	ADENINE	A	1LU1	0.97
ADE	ADENINE	A,B	1Q8Y	0.97
ADE	ADENINE	A	2QES	0.97
ADE	ADENINE	A	2PUB	0.97
ADE	ADENINE	A	1Z8D	0.97
ADE	ADENINE	A	1JH8	0.97
ADE	ADENINE	A	1QD2	0.97
ADE	ADENINE	A	2ICS	0.97
ADE	ADENINE	A	1IFS	0.97
ADE	ADENINE	A	1NLI	0.97
ADE	ADENINE	A,B	1D2A	0.97
ADE	ADENINE	A	1GIU	0.97
ADE	ADENINE	A	1J1R	0.97
ADE	ADENINE	A	2QET	0.97
ADE	ADENINE	A,B,C	1OD4	0.97
ADE	ADENINE	A,B	1QCI	0.97
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.97
ADE	ADENINE	A,B	1JYS	0.97
ADE	ADENINE	A	1LPD	0.97
ADE	ADENINE	A,B	1OD2	0.97
ADE	ADENINE	A	1WTA	0.97
ADE	ADENINE	A,B,C	1S2D	0.97
ADE	ADENINE	A	1MUD	0.97
ADE	ADENINE	A	2PUE	0.97
A2F	2-fluoroadenine	A	3GOT	0.95
A2F	2-fluoroadenine	A,B,C	3GB9	0.95
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.7
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B,C,D	2FLH	0.77
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B,C,D	3C0V	0.77
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A	2QIM	0.77
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B	3D7W	0.77
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A	1W1R	0.77
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.9
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.9
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.93
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.74
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL- DIPHOSPHATE	A,B	1ZOT	0.72
EMA	(ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL- DIPHOSPHATE	A,B,C,D,E,F	1PK0	0.72
DX4	2-amino-1,9-dihydro-6H-purine-6- thione	A,B,C,D	3BMG	0.76
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.93
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.77
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.91
M01	1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine	A	2VNW	0.82
6GU	6-chloroguanine	A	3FO4	0.94
6GU	6-chloroguanine	A	3GOG	0.94
6GU	6-chloroguanine	A	3GER	0.94
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.86
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.71
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.77
ZAD	(S)-1'-(2',3'-DIHYDROXYPROPYL)- ADENINE	A	2JJA	0.71
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM	A,B	1PU7	0.89
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	1W1Q	0.85
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	2EXM	0.85
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.9
BOA	2-BROMO-6-HYDROXY-PURINE	A	1M67	0.76
6GO	6-O-methylguanine	A	3FO6	0.76
6GO	6-O-methylguanine	A	3GES	0.76
ZEZ	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B	3D7W	0.77
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.85
TNV	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL- TRIPHOSPHATE	A,B,P	1T05	0.7
PM6	9H-purine-6-thiol	A,B	3BGD	0.87
XAN	XANTHINE	A	3GAO	0.73
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.73
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.73
XAN	XANTHINE	A	2UZ9	0.73
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.73
XAN	XANTHINE	A,B,C,D	1A96	0.73
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.97
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
TFO	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID	A,P	1T03	0.72
TEP	THEOPHYLLINE	A	1EHT	0.71
TEP	THEOPHYLLINE	A,B	2A3A	0.71
TEP	THEOPHYLLINE	A	1O15	0.71
XX1	N~6~-7H-PURIN-6-YL-L-LYSINE	A,B,C,D	2OQF	0.72
9MG	9-METHYLGUANINE	A	1RRW	0.74
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.89
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.83
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LVU	0.72
9PP	2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE	A,B,C,D,E,F	1LV8	0.72