MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03536791

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
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE	A,C,E,G	2EG5	0.77
MG7	7-METHYLGUANOSINE	A	1EQA	0.72
MG7	7-METHYLGUANOSINE	A	4DCG	0.72
E1X	PHOSPHORIC ACID MONO-[5-(1-ETHYL- 2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN- 9-YL)-3-HYDROXY-TETRAHYDRO-FURAN- 2-YLMETHYL]ESTER	C,E	1T39	0.74
GMP	GUANOSINE	A	2GBH	0.71
GMP	GUANOSINE	A	1IH7	0.71
GMP	GUANOSINE	A	2QVN	0.71
GMP	GUANOSINE	A,B	1WAF	0.71
GMP	GUANOSINE	A,B,C,D,E,F	1JE1	0.71
GMP	GUANOSINE	A	3DMH	0.71
GMP	GUANOSINE	E	1RFG	0.71
GMP	GUANOSINE	A	2FQX	0.71
GMP	GUANOSINE	A	3CFO	0.71
GMP	GUANOSINE	A,B	2AN9	0.71
GMP	GUANOSINE	A,B,C,D,E,F	1ODJ	0.71
GUN	GUANINE	A,B	1IT7	0.77
GUN	GUANINE	A,B,C,D	3BP1	0.77
GUN	GUANINE	A	1XT4	0.77
GUN	GUANINE	A	1ULB	0.77
GUN	GUANINE	A,B	2I9U	0.77
GUN	GUANINE	A	2JH9	0.77
GUN	GUANINE	E	1V2H	0.77
GUN	GUANINE	A	2JHA	0.77
GUN	GUANINE	A,B,C,D	1A95	0.77
GUN	GUANINE	A,B,C	1XE7	0.77
GUN	GUANINE	A,B,C	1YQQ	0.77
GUN	GUANINE	A,B	1D6A	0.77
GUN	GUANINE	A	1WET	0.77
GUN	GUANINE	A	2PUF	0.77
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.77
GUN	GUANINE	A,B,C	1VMK	0.77
GUN	GUANINE	A,B,C	1YQU	0.77
GUN	GUANINE	A	2JHC	0.77
GUN	GUANINE	A	2JH8	0.77
GUN	GUANINE	A	2JHP	0.77
GUN	GUANINE	A	2PUC	0.77
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.77
GUN	GUANINE	A,B,C,D,E,F	2O74	0.77
GUN	GUANINE	A	2PWU	0.77
GUN	GUANINE	A	2OOD	0.77
GUN	GUANINE	A	2POT	0.77
37T	THEOBROMINE	A	2EFJ	0.85
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.8
CFF	CAFFEINE	A,B	1L5Q	0.83
CFF	CAFFEINE	A,B	2A3B	0.83
CFF	CAFFEINE	A,B	1L7X	0.83
CFF	CAFFEINE	A	1GFZ	0.83
CFF	CAFFEINE	A,B	3DDW	0.83
CFF	CAFFEINE	A,B	3DD1	0.83
CFF	CAFFEINE	A,B	3DDS	0.83
CFF	CAFFEINE	A	1C8L	0.83
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.8
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.8
3DG	9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE	E	1V45	0.71
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.84
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.75
2ND	2'-DEOXYINOSINE	A	1Z39	0.7
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.76
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.76
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.75
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.71
5HG	{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID	A,B	2G1A	0.7
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.82
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE	A,B	1AC9	0.72
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE	A	2F3T	0.72
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.72
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.77
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.75
XAN	XANTHINE	A	3GAO	0.85
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.85
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.85
XAN	XANTHINE	A	2UZ9	0.85
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.85
XAN	XANTHINE	A,B,C,D	1A96	0.85
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.75
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.82
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	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
G38	3'-AMINO-2'-DEOXY-GUANOSINE-5'- MONOPHOSPHATE	A,B,C,D,E,F	363D	0.71
ANG	8-AMINOGUANINE	A,C	1M3Q	0.7
ANG	8-AMINOGUANINE	A,E	1LWV	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.83
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.83
TEP	THEOPHYLLINE	A	1EHT	0.88
TEP	THEOPHYLLINE	A,B	2A3A	0.88
TEP	THEOPHYLLINE	A	1O15	0.88
HPA	HYPOXANTHINE	A	1PNR	0.77
HPA	HYPOXANTHINE	A	2EET	0.77
HPA	HYPOXANTHINE	A	2PUG	0.77
HPA	HYPOXANTHINE	A	1A9T	0.77
HPA	HYPOXANTHINE	A	1BDI	0.77
HPA	HYPOXANTHINE	A	1QQA	0.77
HPA	HYPOXANTHINE	A	1VFN	0.77
HPA	HYPOXANTHINE	A	1VPW	0.77
HPA	HYPOXANTHINE	A	2EEV	0.77
HPA	HYPOXANTHINE	A	1A9Q	0.77
HPA	HYPOXANTHINE	A	1A9R	0.77
HPA	HYPOXANTHINE	A	2EEU	0.77
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.77
HPA	HYPOXANTHINE	A	1JFT	0.77
HPA	HYPOXANTHINE	A	2EEW	0.77
HPA	HYPOXANTHINE	A	2PUD	0.77
HPA	HYPOXANTHINE	A	1QP7	0.77
HPA	HYPOXANTHINE	A,M	1ZAY	0.77
HPA	HYPOXANTHINE	A	1JH9	0.77
HPA	HYPOXANTHINE	A	2EES	0.77
HPA	HYPOXANTHINE	A	1JFS	0.77
HPA	HYPOXANTHINE	A	1QP0	0.77
HPA	HYPOXANTHINE	A	1QPZ	0.77
HPA	HYPOXANTHINE	A	1U8D	0.77
HPA	HYPOXANTHINE	A	1QQB	0.77
HPA	HYPOXANTHINE	A	1BDH	0.77
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.77
HPA	HYPOXANTHINE	A	1QP4	0.77
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.9
13A	7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN- 2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO- 2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4S-ONE	A,B,C,D	2B1G	0.72
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.81
NDM	7,9-DIMETHYLGUANINE	A	1JSZ	0.7