MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01604570

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
BRG	8-BROMOGUANINE	A,E	1LWW	0.71
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
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.87
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.74
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.78
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.93
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.93
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE	A,C,E,G	2EG5	0.74
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.84
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.78
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.71
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.74
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.77
2ND	2'-DEOXYINOSINE	A	1Z39	0.7
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.71
XAN	XANTHINE	A	3GAO	0.88
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.88
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.88
XAN	XANTHINE	A	2UZ9	0.88
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.88
XAN	XANTHINE	A,B,C,D	1A96	0.88
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.71
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.71
TEP	THEOPHYLLINE	A	1EHT	0.91
TEP	THEOPHYLLINE	A,B	2A3A	0.91
TEP	THEOPHYLLINE	A	1O15	0.91
HPA	HYPOXANTHINE	A	1PNR	0.79
HPA	HYPOXANTHINE	A	2EET	0.79
HPA	HYPOXANTHINE	A	2PUG	0.79
HPA	HYPOXANTHINE	A	1A9T	0.79
HPA	HYPOXANTHINE	A	1BDI	0.79
HPA	HYPOXANTHINE	A	1QQA	0.79
HPA	HYPOXANTHINE	A	1VFN	0.79
HPA	HYPOXANTHINE	A	1VPW	0.79
HPA	HYPOXANTHINE	A	2EEV	0.79
HPA	HYPOXANTHINE	A	1A9Q	0.79
HPA	HYPOXANTHINE	A	1A9R	0.79
HPA	HYPOXANTHINE	A	2EEU	0.79
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.79
HPA	HYPOXANTHINE	A	1JFT	0.79
HPA	HYPOXANTHINE	A	2EEW	0.79
HPA	HYPOXANTHINE	A	2PUD	0.79
HPA	HYPOXANTHINE	A	1QP7	0.79
HPA	HYPOXANTHINE	A,M	1ZAY	0.79
HPA	HYPOXANTHINE	A	1JH9	0.79
HPA	HYPOXANTHINE	A	2EES	0.79
HPA	HYPOXANTHINE	A	1JFS	0.79
HPA	HYPOXANTHINE	A	1QP0	0.79
HPA	HYPOXANTHINE	A	1QPZ	0.79
HPA	HYPOXANTHINE	A	1U8D	0.79
HPA	HYPOXANTHINE	A	1QQB	0.79
HPA	HYPOXANTHINE	A	1BDH	0.79
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.79
HPA	HYPOXANTHINE	A	1QP4	0.79
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.79
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.82
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.82
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.77
ANG	8-AMINOGUANINE	A,C	1M3Q	0.73
ANG	8-AMINOGUANINE	A,E	1LWV	0.73
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.73
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.73
GUN	GUANINE	A,B	1IT7	0.79
GUN	GUANINE	A,B,C,D	3BP1	0.79
GUN	GUANINE	A	1XT4	0.79
GUN	GUANINE	A	1ULB	0.79
GUN	GUANINE	A,B	2I9U	0.79
GUN	GUANINE	A	2JH9	0.79
GUN	GUANINE	E	1V2H	0.79
GUN	GUANINE	A	2JHA	0.79
GUN	GUANINE	A,B,C,D	1A95	0.79
GUN	GUANINE	A,B,C	1XE7	0.79
GUN	GUANINE	A,B,C	1YQQ	0.79
GUN	GUANINE	A,B	1D6A	0.79
GUN	GUANINE	A	1WET	0.79
GUN	GUANINE	A	2PUF	0.79
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.79
GUN	GUANINE	A,B,C	1VMK	0.79
GUN	GUANINE	A,B,C	1YQU	0.79
GUN	GUANINE	A	2JHC	0.79
GUN	GUANINE	A	2JH8	0.79
GUN	GUANINE	A	2JHP	0.79
GUN	GUANINE	A	2PUC	0.79
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.79
GUN	GUANINE	A,B,C,D,E,F	2O74	0.79
GUN	GUANINE	A	2PWU	0.79
GUN	GUANINE	A	2OOD	0.79
GUN	GUANINE	A	2POT	0.79
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
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.74
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.74
EA1	3H-IMIDAZO[2,1-I]PURINE	A,B	1PU8	0.71
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.84
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.87
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.71
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.72
CFF	CAFFEINE	A,B	1L5Q	0.86
CFF	CAFFEINE	A,B	2A3B	0.86
CFF	CAFFEINE	A,B	1L7X	0.86
CFF	CAFFEINE	A	1GFZ	0.86
CFF	CAFFEINE	A,B	3DDW	0.86
CFF	CAFFEINE	A,B	3DD1	0.86
CFF	CAFFEINE	A,B	3DDS	0.86
CFF	CAFFEINE	A	1C8L	0.86
37T	THEOBROMINE	A	2EFJ	0.88
CHQ	CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR	A,B	1W1T	0.72
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.7