MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00853954

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	0.72
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.91
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.75
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.72
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.72
TEP	THEOPHYLLINE	A	1EHT	0.96
TEP	THEOPHYLLINE	A,B	2A3A	0.96
TEP	THEOPHYLLINE	A	1O15	0.96
HPA	HYPOXANTHINE	A	1PNR	0.83
HPA	HYPOXANTHINE	A	2EET	0.83
HPA	HYPOXANTHINE	A	2PUG	0.83
HPA	HYPOXANTHINE	A	1A9T	0.83
HPA	HYPOXANTHINE	A	1BDI	0.83
HPA	HYPOXANTHINE	A	1QQA	0.83
HPA	HYPOXANTHINE	A	1VFN	0.83
HPA	HYPOXANTHINE	A	1VPW	0.83
HPA	HYPOXANTHINE	A	2EEV	0.83
HPA	HYPOXANTHINE	A	1A9Q	0.83
HPA	HYPOXANTHINE	A	1A9R	0.83
HPA	HYPOXANTHINE	A	2EEU	0.83
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.83
HPA	HYPOXANTHINE	A	1JFT	0.83
HPA	HYPOXANTHINE	A	2EEW	0.83
HPA	HYPOXANTHINE	A	2PUD	0.83
HPA	HYPOXANTHINE	A	1QP7	0.83
HPA	HYPOXANTHINE	A,M	1ZAY	0.83
HPA	HYPOXANTHINE	A	1JH9	0.83
HPA	HYPOXANTHINE	A	2EES	0.83
HPA	HYPOXANTHINE	A	1JFS	0.83
HPA	HYPOXANTHINE	A	1QP0	0.83
HPA	HYPOXANTHINE	A	1QPZ	0.83
HPA	HYPOXANTHINE	A	1U8D	0.83
HPA	HYPOXANTHINE	A	1QQB	0.83
HPA	HYPOXANTHINE	A	1BDH	0.83
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.83
HPA	HYPOXANTHINE	A	1QP4	0.83
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.97
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.97
L21	3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine	A,B	2W6Z	0.7
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	0.72
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
ANG	8-AMINOGUANINE	A,C	1M3Q	0.76
ANG	8-AMINOGUANINE	A,E	1LWV	0.76
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.75
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.89
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.78
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.75
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.74
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.73
CFF	CAFFEINE	A,B	1L5Q	0.89
CFF	CAFFEINE	A,B	2A3B	0.89
CFF	CAFFEINE	A,B	1L7X	0.89
CFF	CAFFEINE	A	1GFZ	0.89
CFF	CAFFEINE	A,B	3DDW	0.89
CFF	CAFFEINE	A,B	3DD1	0.89
CFF	CAFFEINE	A,B	3DDS	0.89
CFF	CAFFEINE	A	1C8L	0.89
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.86
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.86
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.85
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.75
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.75
37T	THEOBROMINE	A	2EFJ	0.9
XAN	XANTHINE	A	3GAO	0.92
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.92
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.92
XAN	XANTHINE	A	2UZ9	0.92
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.92
XAN	XANTHINE	A,B,C,D	1A96	0.92
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
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	1W1Q	0.71
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	2EXM	0.71
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.82
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.73
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.73
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.78
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.7
GUN	GUANINE	A,B	1IT7	0.83
GUN	GUANINE	A,B,C,D	3BP1	0.83
GUN	GUANINE	A	1XT4	0.83
GUN	GUANINE	A	1ULB	0.83
GUN	GUANINE	A,B	2I9U	0.83
GUN	GUANINE	A	2JH9	0.83
GUN	GUANINE	E	1V2H	0.83
GUN	GUANINE	A	2JHA	0.83
GUN	GUANINE	A,B,C,D	1A95	0.83
GUN	GUANINE	A,B,C	1XE7	0.83
GUN	GUANINE	A,B,C	1YQQ	0.83
GUN	GUANINE	A,B	1D6A	0.83
GUN	GUANINE	A	1WET	0.83
GUN	GUANINE	A	2PUF	0.83
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.83
GUN	GUANINE	A,B,C	1VMK	0.83
GUN	GUANINE	A,B,C	1YQU	0.83
GUN	GUANINE	A	2JHC	0.83
GUN	GUANINE	A	2JH8	0.83
GUN	GUANINE	A	2JHP	0.83
GUN	GUANINE	A	2PUC	0.83
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.83
GUN	GUANINE	A,B,C,D,E,F	2O74	0.83
GUN	GUANINE	A	2PWU	0.83
GUN	GUANINE	A	2OOD	0.83
GUN	GUANINE	A	2POT	0.83
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.72
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.85
LUZ	pteridine-2,4(1H,3H)-dione	A,B,C,L,M,N	3ETR	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.72
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.72
BRG	8-BROMOGUANINE	A,E	1LWW	0.74