MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218215

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
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
XAN	XANTHINE	A	3GAO	0.83
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.83
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.83
XAN	XANTHINE	A	2UZ9	0.83
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.83
XAN	XANTHINE	A,B,C,D	1A96	0.83
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.75
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	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
TEP	THEOPHYLLINE	A	1EHT	0.86
TEP	THEOPHYLLINE	A,B	2A3A	0.86
TEP	THEOPHYLLINE	A	1O15	0.86
GUN	GUANINE	A,B	1IT7	0.74
GUN	GUANINE	A,B,C,D	3BP1	0.74
GUN	GUANINE	A	1XT4	0.74
GUN	GUANINE	A	1ULB	0.74
GUN	GUANINE	A,B	2I9U	0.74
GUN	GUANINE	A	2JH9	0.74
GUN	GUANINE	E	1V2H	0.74
GUN	GUANINE	A	2JHA	0.74
GUN	GUANINE	A,B,C,D	1A95	0.74
GUN	GUANINE	A,B,C	1XE7	0.74
GUN	GUANINE	A,B,C	1YQQ	0.74
GUN	GUANINE	A,B	1D6A	0.74
GUN	GUANINE	A	1WET	0.74
GUN	GUANINE	A	2PUF	0.74
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.74
GUN	GUANINE	A,B,C	1VMK	0.74
GUN	GUANINE	A,B,C	1YQU	0.74
GUN	GUANINE	A	2JHC	0.74
GUN	GUANINE	A	2JH8	0.74
GUN	GUANINE	A	2JHP	0.74
GUN	GUANINE	A	2PUC	0.74
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.74
GUN	GUANINE	A,B,C,D,E,F	2O74	0.74
GUN	GUANINE	A	2PWU	0.74
GUN	GUANINE	A	2OOD	0.74
GUN	GUANINE	A	2POT	0.74
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.84
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.76
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.75
CFF	CAFFEINE	A,B	1L5Q	0.94
CFF	CAFFEINE	A,B	2A3B	0.94
CFF	CAFFEINE	A,B	1L7X	0.94
CFF	CAFFEINE	A	1GFZ	0.94
CFF	CAFFEINE	A,B	3DDW	0.94
CFF	CAFFEINE	A,B	3DD1	0.94
CFF	CAFFEINE	A,B	3DDS	0.94
CFF	CAFFEINE	A	1C8L	0.94
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.74
37T	THEOBROMINE	A	2EFJ	0.91
L21	3-(3-methylbut-2-en-1-yl)-3H-purin- 6-amine	A,B	2W6Z	0.72
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.78
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.78
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.73
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.77
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.89
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.81
HPA	HYPOXANTHINE	A	1PNR	0.74
HPA	HYPOXANTHINE	A	2EET	0.74
HPA	HYPOXANTHINE	A	2PUG	0.74
HPA	HYPOXANTHINE	A	1A9T	0.74
HPA	HYPOXANTHINE	A	1BDI	0.74
HPA	HYPOXANTHINE	A	1QQA	0.74
HPA	HYPOXANTHINE	A	1VFN	0.74
HPA	HYPOXANTHINE	A	1VPW	0.74
HPA	HYPOXANTHINE	A	2EEV	0.74
HPA	HYPOXANTHINE	A	1A9Q	0.74
HPA	HYPOXANTHINE	A	1A9R	0.74
HPA	HYPOXANTHINE	A	2EEU	0.74
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.74
HPA	HYPOXANTHINE	A	1JFT	0.74
HPA	HYPOXANTHINE	A	2EEW	0.74
HPA	HYPOXANTHINE	A	2PUD	0.74
HPA	HYPOXANTHINE	A	1QP7	0.74
HPA	HYPOXANTHINE	A,M	1ZAY	0.74
HPA	HYPOXANTHINE	A	1JH9	0.74
HPA	HYPOXANTHINE	A	2EES	0.74
HPA	HYPOXANTHINE	A	1JFS	0.74
HPA	HYPOXANTHINE	A	1QP0	0.74
HPA	HYPOXANTHINE	A	1QPZ	0.74
HPA	HYPOXANTHINE	A	1U8D	0.74
HPA	HYPOXANTHINE	A	1QQB	0.74
HPA	HYPOXANTHINE	A	1BDH	0.74
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.74
HPA	HYPOXANTHINE	A	1QP4	0.74
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.74
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.73
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.73
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.88
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.88
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.72
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.89
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.71
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.71
LUZ	pteridine-2,4(1H,3H)-dione	A,B,C,L,M,N	3ETR	0.7
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