MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00496103

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
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.77
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
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.75
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.87
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.72
GUN	GUANINE	A,B	1IT7	0.7
GUN	GUANINE	A,B,C,D	3BP1	0.7
GUN	GUANINE	A	1XT4	0.7
GUN	GUANINE	A	1ULB	0.7
GUN	GUANINE	A,B	2I9U	0.7
GUN	GUANINE	A	2JH9	0.7
GUN	GUANINE	E	1V2H	0.7
GUN	GUANINE	A	2JHA	0.7
GUN	GUANINE	A,B,C,D	1A95	0.7
GUN	GUANINE	A,B,C	1XE7	0.7
GUN	GUANINE	A,B,C	1YQQ	0.7
GUN	GUANINE	A,B	1D6A	0.7
GUN	GUANINE	A	1WET	0.7
GUN	GUANINE	A	2PUF	0.7
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.7
GUN	GUANINE	A,B,C	1VMK	0.7
GUN	GUANINE	A,B,C	1YQU	0.7
GUN	GUANINE	A	2JHC	0.7
GUN	GUANINE	A	2JH8	0.7
GUN	GUANINE	A	2JHP	0.7
GUN	GUANINE	A	2PUC	0.7
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.7
GUN	GUANINE	A,B,C,D,E,F	2O74	0.7
GUN	GUANINE	A	2PWU	0.7
GUN	GUANINE	A	2OOD	0.7
GUN	GUANINE	A	2POT	0.7
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.73
37T	THEOBROMINE	A	2EFJ	0.86
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
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.75
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.75
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
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	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
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.79
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.92
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.73
TEP	THEOPHYLLINE	A	1EHT	0.81
TEP	THEOPHYLLINE	A,B	2A3A	0.81
TEP	THEOPHYLLINE	A	1O15	0.81
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.83
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.83
HPA	HYPOXANTHINE	A	1PNR	0.7
HPA	HYPOXANTHINE	A	2EET	0.7
HPA	HYPOXANTHINE	A	2PUG	0.7
HPA	HYPOXANTHINE	A	1A9T	0.7
HPA	HYPOXANTHINE	A	1BDI	0.7
HPA	HYPOXANTHINE	A	1QQA	0.7
HPA	HYPOXANTHINE	A	1VFN	0.7
HPA	HYPOXANTHINE	A	1VPW	0.7
HPA	HYPOXANTHINE	A	2EEV	0.7
HPA	HYPOXANTHINE	A	1A9Q	0.7
HPA	HYPOXANTHINE	A	1A9R	0.7
HPA	HYPOXANTHINE	A	2EEU	0.7
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.7
HPA	HYPOXANTHINE	A	1JFT	0.7
HPA	HYPOXANTHINE	A	2EEW	0.7
HPA	HYPOXANTHINE	A	2PUD	0.7
HPA	HYPOXANTHINE	A	1QP7	0.7
HPA	HYPOXANTHINE	A,M	1ZAY	0.7
HPA	HYPOXANTHINE	A	1JH9	0.7
HPA	HYPOXANTHINE	A	2EES	0.7
HPA	HYPOXANTHINE	A	1JFS	0.7
HPA	HYPOXANTHINE	A	1QP0	0.7
HPA	HYPOXANTHINE	A	1QPZ	0.7
HPA	HYPOXANTHINE	A	1U8D	0.7
HPA	HYPOXANTHINE	A	1QQB	0.7
HPA	HYPOXANTHINE	A	1BDH	0.7
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.7
HPA	HYPOXANTHINE	A	1QP4	0.7
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.7
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.72
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.72
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.73
XAN	XANTHINE	A	3GAO	0.78
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.78
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.78
XAN	XANTHINE	A	2UZ9	0.78
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.78
XAN	XANTHINE	A,B,C,D	1A96	0.78