MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01738582

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
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.73
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.8
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE	A,C,E,G	2EG5	0.7
37T	THEOBROMINE	A	2EFJ	0.86
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.71
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.84
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.72
XAN	XANTHINE	A	3GAO	0.79
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.79
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.79
XAN	XANTHINE	A	2UZ9	0.79
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.79
XAN	XANTHINE	A,B,C,D	1A96	0.79
HPA	HYPOXANTHINE	A	1PNR	0.71
HPA	HYPOXANTHINE	A	2EET	0.71
HPA	HYPOXANTHINE	A	2PUG	0.71
HPA	HYPOXANTHINE	A	1A9T	0.71
HPA	HYPOXANTHINE	A	1BDI	0.71
HPA	HYPOXANTHINE	A	1QQA	0.71
HPA	HYPOXANTHINE	A	1VFN	0.71
HPA	HYPOXANTHINE	A	1VPW	0.71
HPA	HYPOXANTHINE	A	2EEV	0.71
HPA	HYPOXANTHINE	A	1A9Q	0.71
HPA	HYPOXANTHINE	A	1A9R	0.71
HPA	HYPOXANTHINE	A	2EEU	0.71
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.71
HPA	HYPOXANTHINE	A	1JFT	0.71
HPA	HYPOXANTHINE	A	2EEW	0.71
HPA	HYPOXANTHINE	A	2PUD	0.71
HPA	HYPOXANTHINE	A	1QP7	0.71
HPA	HYPOXANTHINE	A,M	1ZAY	0.71
HPA	HYPOXANTHINE	A	1JH9	0.71
HPA	HYPOXANTHINE	A	2EES	0.71
HPA	HYPOXANTHINE	A	1JFS	0.71
HPA	HYPOXANTHINE	A	1QP0	0.71
HPA	HYPOXANTHINE	A	1QPZ	0.71
HPA	HYPOXANTHINE	A	1U8D	0.71
HPA	HYPOXANTHINE	A	1QQB	0.71
HPA	HYPOXANTHINE	A	1BDH	0.71
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.71
HPA	HYPOXANTHINE	A	1QP4	0.71
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.71
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.75
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.82
CFF	CAFFEINE	A,B	1L5Q	0.85
CFF	CAFFEINE	A,B	2A3B	0.85
CFF	CAFFEINE	A,B	1L7X	0.85
CFF	CAFFEINE	A	1GFZ	0.85
CFF	CAFFEINE	A,B	3DDW	0.85
CFF	CAFFEINE	A,B	3DD1	0.85
CFF	CAFFEINE	A,B	3DDS	0.85
CFF	CAFFEINE	A	1C8L	0.85
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.71
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.87
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.87
GUN	GUANINE	A,B	1IT7	0.71
GUN	GUANINE	A,B,C,D	3BP1	0.71
GUN	GUANINE	A	1XT4	0.71
GUN	GUANINE	A	1ULB	0.71
GUN	GUANINE	A,B	2I9U	0.71
GUN	GUANINE	A	2JH9	0.71
GUN	GUANINE	E	1V2H	0.71
GUN	GUANINE	A	2JHA	0.71
GUN	GUANINE	A,B,C,D	1A95	0.71
GUN	GUANINE	A,B,C	1XE7	0.71
GUN	GUANINE	A,B,C	1YQQ	0.71
GUN	GUANINE	A,B	1D6A	0.71
GUN	GUANINE	A	1WET	0.71
GUN	GUANINE	A	2PUF	0.71
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.71
GUN	GUANINE	A,B,C	1VMK	0.71
GUN	GUANINE	A,B,C	1YQU	0.71
GUN	GUANINE	A	2JHC	0.71
GUN	GUANINE	A	2JH8	0.71
GUN	GUANINE	A	2JHP	0.71
GUN	GUANINE	A	2PUC	0.71
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.71
GUN	GUANINE	A,B,C,D,E,F	2O74	0.71
GUN	GUANINE	A	2PWU	0.71
GUN	GUANINE	A	2OOD	0.71
GUN	GUANINE	A	2POT	0.71
TEP	THEOPHYLLINE	A	1EHT	0.82
TEP	THEOPHYLLINE	A,B	2A3A	0.82
TEP	THEOPHYLLINE	A	1O15	0.82
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.76
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.76
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.82
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.72
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.72
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.7
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.74
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.74