MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03349891

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
XAN	XANTHINE	A	3GAO	0.82
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.82
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.82
XAN	XANTHINE	A	2UZ9	0.82
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.82
XAN	XANTHINE	A,B,C,D	1A96	0.82
CFF	CAFFEINE	A,B	1L5Q	0.8
CFF	CAFFEINE	A,B	2A3B	0.8
CFF	CAFFEINE	A,B	1L7X	0.8
CFF	CAFFEINE	A	1GFZ	0.8
CFF	CAFFEINE	A,B	3DDW	0.8
CFF	CAFFEINE	A,B	3DD1	0.8
CFF	CAFFEINE	A,B	3DDS	0.8
CFF	CAFFEINE	A	1C8L	0.8
TEP	THEOPHYLLINE	A	1EHT	0.85
TEP	THEOPHYLLINE	A,B	2A3A	0.85
TEP	THEOPHYLLINE	A	1O15	0.85
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.84
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.73
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	0.73
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.7
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE	A,B	1AC9	0.7
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE	A	2F3T	0.7
GUN	GUANINE	A,B	1IT7	0.74
GUN	GUANINE	A,B,C,D	3BP1	0.74
GUN	GUANINE	A	1XT4	0.74
GUN	GUANINE	A	1ULB	0.74
GUN	GUANINE	A,B	2I9U	0.74
GUN	GUANINE	A	2JH9	0.74
GUN	GUANINE	E	1V2H	0.74
GUN	GUANINE	A	2JHA	0.74
GUN	GUANINE	A,B,C,D	1A95	0.74
GUN	GUANINE	A,B,C	1XE7	0.74
GUN	GUANINE	A,B,C	1YQQ	0.74
GUN	GUANINE	A,B	1D6A	0.74
GUN	GUANINE	A	1WET	0.74
GUN	GUANINE	A	2PUF	0.74
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.74
GUN	GUANINE	A,B,C	1VMK	0.74
GUN	GUANINE	A,B,C	1YQU	0.74
GUN	GUANINE	A	2JHC	0.74
GUN	GUANINE	A	2JH8	0.74
GUN	GUANINE	A	2JHP	0.74
GUN	GUANINE	A	2PUC	0.74
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.74
GUN	GUANINE	A,B,C,D,E,F	2O74	0.74
GUN	GUANINE	A	2PWU	0.74
GUN	GUANINE	A	2OOD	0.74
GUN	GUANINE	A	2POT	0.74
ANG	8-AMINOGUANINE	A,C	1M3Q	0.71
ANG	8-AMINOGUANINE	A,E	1LWV	0.71
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.76
NDM	7,9-DIMETHYLGUANINE	A	1JSZ	0.71
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.85
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE	A,C,E,G	2EG5	0.75
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.73
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.78
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.75
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.75
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.76
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.75
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.87
A66	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.7
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.81
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.81
HPA	HYPOXANTHINE	A	1PNR	0.74
HPA	HYPOXANTHINE	A	2EET	0.74
HPA	HYPOXANTHINE	A	2PUG	0.74
HPA	HYPOXANTHINE	A	1A9T	0.74
HPA	HYPOXANTHINE	A	1BDI	0.74
HPA	HYPOXANTHINE	A	1QQA	0.74
HPA	HYPOXANTHINE	A	1VFN	0.74
HPA	HYPOXANTHINE	A	1VPW	0.74
HPA	HYPOXANTHINE	A	2EEV	0.74
HPA	HYPOXANTHINE	A	1A9Q	0.74
HPA	HYPOXANTHINE	A	1A9R	0.74
HPA	HYPOXANTHINE	A	2EEU	0.74
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.74
HPA	HYPOXANTHINE	A	1JFT	0.74
HPA	HYPOXANTHINE	A	2EEW	0.74
HPA	HYPOXANTHINE	A	2PUD	0.74
HPA	HYPOXANTHINE	A	1QP7	0.74
HPA	HYPOXANTHINE	A,M	1ZAY	0.74
HPA	HYPOXANTHINE	A	1JH9	0.74
HPA	HYPOXANTHINE	A	2EES	0.74
HPA	HYPOXANTHINE	A	1JFS	0.74
HPA	HYPOXANTHINE	A	1QP0	0.74
HPA	HYPOXANTHINE	A	1QPZ	0.74
HPA	HYPOXANTHINE	A	1U8D	0.74
HPA	HYPOXANTHINE	A	1QQB	0.74
HPA	HYPOXANTHINE	A	1BDH	0.74
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.74
HPA	HYPOXANTHINE	A	1QP4	0.74
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.74
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.76
MG7	7-METHYLGUANOSINE	A	1EQA	0.71
MG7	7-METHYLGUANOSINE	A	4DCG	0.71
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
37T	THEOBROMINE	A	2EFJ	0.82
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.77
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.77
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.78
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.78
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	0.7
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.83
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.7
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.7
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.7