MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03413500

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
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.77
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.72
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.81
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.74
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.79
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.79
37T	THEOBROMINE	A	2EFJ	0.84
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.86
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
SC3	7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE	A,B,C,D	2AJ8	0.71
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.74
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.73
HPA	HYPOXANTHINE	A	1PNR	0.76
HPA	HYPOXANTHINE	A	2EET	0.76
HPA	HYPOXANTHINE	A	2PUG	0.76
HPA	HYPOXANTHINE	A	1A9T	0.76
HPA	HYPOXANTHINE	A	1BDI	0.76
HPA	HYPOXANTHINE	A	1QQA	0.76
HPA	HYPOXANTHINE	A	1VFN	0.76
HPA	HYPOXANTHINE	A	1VPW	0.76
HPA	HYPOXANTHINE	A	2EEV	0.76
HPA	HYPOXANTHINE	A	1A9Q	0.76
HPA	HYPOXANTHINE	A	1A9R	0.76
HPA	HYPOXANTHINE	A	2EEU	0.76
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.76
HPA	HYPOXANTHINE	A	1JFT	0.76
HPA	HYPOXANTHINE	A	2EEW	0.76
HPA	HYPOXANTHINE	A	2PUD	0.76
HPA	HYPOXANTHINE	A	1QP7	0.76
HPA	HYPOXANTHINE	A,M	1ZAY	0.76
HPA	HYPOXANTHINE	A	1JH9	0.76
HPA	HYPOXANTHINE	A	2EES	0.76
HPA	HYPOXANTHINE	A	1JFS	0.76
HPA	HYPOXANTHINE	A	1QP0	0.76
HPA	HYPOXANTHINE	A	1QPZ	0.76
HPA	HYPOXANTHINE	A	1U8D	0.76
HPA	HYPOXANTHINE	A	1QQB	0.76
HPA	HYPOXANTHINE	A	1BDH	0.76
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.76
HPA	HYPOXANTHINE	A	1QP4	0.76
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.71
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.71
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.73
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.89
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.89
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.76
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.76
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
XAN	XANTHINE	A	3GAO	0.84
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.84
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.84
XAN	XANTHINE	A	2UZ9	0.84
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.84
XAN	XANTHINE	A,B,C,D	1A96	0.84
ANG	8-AMINOGUANINE	A,C	1M3Q	0.74
ANG	8-AMINOGUANINE	A,E	1LWV	0.74
A66	2-AMINOETHYLLYSINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.7
GUN	GUANINE	A,B	1IT7	0.76
GUN	GUANINE	A,B,C,D	3BP1	0.76
GUN	GUANINE	A	1XT4	0.76
GUN	GUANINE	A	1ULB	0.76
GUN	GUANINE	A,B	2I9U	0.76
GUN	GUANINE	A	2JH9	0.76
GUN	GUANINE	E	1V2H	0.76
GUN	GUANINE	A	2JHA	0.76
GUN	GUANINE	A,B,C,D	1A95	0.76
GUN	GUANINE	A,B,C	1XE7	0.76
GUN	GUANINE	A,B,C	1YQQ	0.76
GUN	GUANINE	A,B	1D6A	0.76
GUN	GUANINE	A	1WET	0.76
GUN	GUANINE	A	2PUF	0.76
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.76
GUN	GUANINE	A,B,C	1VMK	0.76
GUN	GUANINE	A,B,C	1YQU	0.76
GUN	GUANINE	A	2JHC	0.76
GUN	GUANINE	A	2JH8	0.76
GUN	GUANINE	A	2JHP	0.76
GUN	GUANINE	A	2PUC	0.76
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.76
GUN	GUANINE	A,B,C,D,E,F	2O74	0.76
GUN	GUANINE	A	2PWU	0.76
GUN	GUANINE	A	2OOD	0.76
GUN	GUANINE	A	2POT	0.76
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.88
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE	A,C,E,G	2EG5	0.71
BRG	8-BROMOGUANINE	A,E	1LWW	0.72
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.86
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.74
TEP	THEOPHYLLINE	A	1EHT	0.88
TEP	THEOPHYLLINE	A,B	2A3A	0.88
TEP	THEOPHYLLINE	A	1O15	0.88
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	0.71