MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01736042

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
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.76
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.79
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
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.77
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.78
AMR	3,5-DIAMINO-N-(AMINOIMINOMETHYL)- 6-CHLOROPYRAZINECARBOXAMIDE	A	1F5L	0.73
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.86
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
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.84
ANG	8-AMINOGUANINE	A,C	1M3Q	0.88
ANG	8-AMINOGUANINE	A,E	1LWV	0.88
XAN	XANTHINE	A	3GAO	0.81
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.81
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.81
XAN	XANTHINE	A	2UZ9	0.81
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.81
XAN	XANTHINE	A,B,C,D	1A96	0.81
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.85
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.85
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.78
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.77
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
HPA	HYPOXANTHINE	A	1PNR	0.85
HPA	HYPOXANTHINE	A	2EET	0.85
HPA	HYPOXANTHINE	A	2PUG	0.85
HPA	HYPOXANTHINE	A	1A9T	0.85
HPA	HYPOXANTHINE	A	1BDI	0.85
HPA	HYPOXANTHINE	A	1QQA	0.85
HPA	HYPOXANTHINE	A	1VFN	0.85
HPA	HYPOXANTHINE	A	1VPW	0.85
HPA	HYPOXANTHINE	A	2EEV	0.85
HPA	HYPOXANTHINE	A	1A9Q	0.85
HPA	HYPOXANTHINE	A	1A9R	0.85
HPA	HYPOXANTHINE	A	2EEU	0.85
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.85
HPA	HYPOXANTHINE	A	1JFT	0.85
HPA	HYPOXANTHINE	A	2EEW	0.85
HPA	HYPOXANTHINE	A	2PUD	0.85
HPA	HYPOXANTHINE	A	1QP7	0.85
HPA	HYPOXANTHINE	A,M	1ZAY	0.85
HPA	HYPOXANTHINE	A	1JH9	0.85
HPA	HYPOXANTHINE	A	2EES	0.85
HPA	HYPOXANTHINE	A	1JFS	0.85
HPA	HYPOXANTHINE	A	1QP0	0.85
HPA	HYPOXANTHINE	A	1QPZ	0.85
HPA	HYPOXANTHINE	A	1U8D	0.85
HPA	HYPOXANTHINE	A	1QQB	0.85
HPA	HYPOXANTHINE	A	1BDH	0.85
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.85
HPA	HYPOXANTHINE	A	1QP4	0.85
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.85
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.74
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.75
37T	THEOBROMINE	A	2EFJ	0.8
TEP	THEOPHYLLINE	A	1EHT	0.83
TEP	THEOPHYLLINE	A,B	2A3A	0.83
TEP	THEOPHYLLINE	A	1O15	0.83
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.74
GUN	GUANINE	A,B	1IT7	0.87
GUN	GUANINE	A,B,C,D	3BP1	0.87
GUN	GUANINE	A	1XT4	0.87
GUN	GUANINE	A	1ULB	0.87
GUN	GUANINE	A,B	2I9U	0.87
GUN	GUANINE	A	2JH9	0.87
GUN	GUANINE	E	1V2H	0.87
GUN	GUANINE	A	2JHA	0.87
GUN	GUANINE	A,B,C,D	1A95	0.87
GUN	GUANINE	A,B,C	1XE7	0.87
GUN	GUANINE	A,B,C	1YQQ	0.87
GUN	GUANINE	A,B	1D6A	0.87
GUN	GUANINE	A	1WET	0.87
GUN	GUANINE	A	2PUF	0.87
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.87
GUN	GUANINE	A,B,C	1VMK	0.87
GUN	GUANINE	A,B,C	1YQU	0.87
GUN	GUANINE	A	2JHC	0.87
GUN	GUANINE	A	2JH8	0.87
GUN	GUANINE	A	2JHP	0.87
GUN	GUANINE	A	2PUC	0.87
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.87
GUN	GUANINE	A,B,C,D,E,F	2O74	0.87
GUN	GUANINE	A	2PWU	0.87
GUN	GUANINE	A	2OOD	0.87
GUN	GUANINE	A	2POT	0.87
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.87
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
CFF	CAFFEINE	A,B	1L5Q	0.78
CFF	CAFFEINE	A,B	2A3B	0.78
CFF	CAFFEINE	A,B	1L7X	0.78
CFF	CAFFEINE	A	1GFZ	0.78
CFF	CAFFEINE	A,B	3DDW	0.78
CFF	CAFFEINE	A,B	3DD1	0.78
CFF	CAFFEINE	A,B	3DDS	0.78
CFF	CAFFEINE	A	1C8L	0.78
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.78
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.78
BRG	8-BROMOGUANINE	A,E	1LWW	0.85
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.79