MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005194

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
290	6-methyl-3,9-dihydro-2H-purin-2- one	A,B,C,I,J,K	3B9J	0.75
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.8
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.8
ANG	8-AMINOGUANINE	A,C	1M3Q	0.9
ANG	8-AMINOGUANINE	A,E	1LWV	0.9
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.77
BRG	8-BROMOGUANINE	A,E	1LWW	0.88
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE	A,B	1AC9	0.73
LGP	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE- 3'-MONOPHOSPHATE	A	2F3T	0.73
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.87
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.87
A2F	2-fluoroadenine	A	3GOT	0.7
A2F	2-fluoroadenine	A,B,C	3GB9	0.7
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
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.92
GUN	GUANINE	A,B	1IT7	0.98
GUN	GUANINE	A,B,C,D	3BP1	0.98
GUN	GUANINE	A	1XT4	0.98
GUN	GUANINE	A	1ULB	0.98
GUN	GUANINE	A,B	2I9U	0.98
GUN	GUANINE	A	2JH9	0.98
GUN	GUANINE	E	1V2H	0.98
GUN	GUANINE	A	2JHA	0.98
GUN	GUANINE	A,B,C,D	1A95	0.98
GUN	GUANINE	A,B,C	1XE7	0.98
GUN	GUANINE	A,B,C	1YQQ	0.98
GUN	GUANINE	A,B	1D6A	0.98
GUN	GUANINE	A	1WET	0.98
GUN	GUANINE	A	2PUF	0.98
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.98
GUN	GUANINE	A,B,C	1VMK	0.98
GUN	GUANINE	A,B,C	1YQU	0.98
GUN	GUANINE	A	2JHC	0.98
GUN	GUANINE	A	2JH8	0.98
GUN	GUANINE	A	2JHP	0.98
GUN	GUANINE	A	2PUC	0.98
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.98
GUN	GUANINE	A,B,C,D,E,F	2O74	0.98
GUN	GUANINE	A	2PWU	0.98
GUN	GUANINE	A	2OOD	0.98
GUN	GUANINE	A	2POT	0.98
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.71
DX4	2-amino-1,9-dihydro-6H-purine-6- thione	A,B,C,D	3BMG	0.8
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.89
XAN	XANTHINE	A	3GAO	0.88
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.88
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.88
XAN	XANTHINE	A	2UZ9	0.88
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.88
XAN	XANTHINE	A,B,C,D	1A96	0.88
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.8
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.78
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.7
ADE	ADENINE	A	1WEI	0.71
ADE	ADENINE	A	2QLU	0.71
ADE	ADENINE	A,B	2H8G	0.71
ADE	ADENINE	A,B	1HQC	0.71
ADE	ADENINE	A	1AHA	0.71
ADE	ADENINE	A,B,C,D,E,F, G,H	1BJQ	0.71
ADE	ADENINE	A,B,D	1YXM	0.71
ADE	ADENINE	A	1CB0	0.71
ADE	ADENINE	A,B	2QTT	0.71
ADE	ADENINE	A,B,C	1XE8	0.71
ADE	ADENINE	A,B	1M2T	0.71
ADE	ADENINE	A	2P8N	0.71
ADE	ADENINE	A,B,C	2PQJ	0.71
ADE	ADENINE	A,B,C	1VRL	0.71
ADE	ADENINE	A,B	3BSF	0.71
ADE	ADENINE	X	1Y26	0.71
ADE	ADENINE	A,B	1ZN7	0.71
ADE	ADENINE	A,B	1Z5N	0.71
ADE	ADENINE	A	1QB7	0.71
ADE	ADENINE	A	1LU1	0.71
ADE	ADENINE	A,B	1Q8Y	0.71
ADE	ADENINE	A	2QES	0.71
ADE	ADENINE	A	2PUB	0.71
ADE	ADENINE	A	1Z8D	0.71
ADE	ADENINE	A	1JH8	0.71
ADE	ADENINE	A	1QD2	0.71
ADE	ADENINE	A	2ICS	0.71
ADE	ADENINE	A	1IFS	0.71
ADE	ADENINE	A	1NLI	0.71
ADE	ADENINE	A,B	1D2A	0.71
ADE	ADENINE	A	1GIU	0.71
ADE	ADENINE	A	1J1R	0.71
ADE	ADENINE	A	2QET	0.71
ADE	ADENINE	A,B,C	1OD4	0.71
ADE	ADENINE	A,B	1QCI	0.71
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.71
ADE	ADENINE	A,B	1JYS	0.71
ADE	ADENINE	A	1LPD	0.71
ADE	ADENINE	A,B	1OD2	0.71
ADE	ADENINE	A	1WTA	0.71
ADE	ADENINE	A,B,C	1S2D	0.71
ADE	ADENINE	A	1MUD	0.71
ADE	ADENINE	A	2PUE	0.71
37T	THEOBROMINE	A	2EFJ	0.82
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.73
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.82
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.76
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.82
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.82
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.7
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
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.82
TEP	THEOPHYLLINE	A	1EHT	0.87
TEP	THEOPHYLLINE	A,B	2A3A	0.87
TEP	THEOPHYLLINE	A	1O15	0.87
2ND	2'-DEOXYINOSINE	A	1Z39	0.71
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.72
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.8
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.8
HPA	HYPOXANTHINE	A	1PNR	1
HPA	HYPOXANTHINE	A	2EET	1
HPA	HYPOXANTHINE	A	2PUG	1
HPA	HYPOXANTHINE	A	1A9T	1
HPA	HYPOXANTHINE	A	1BDI	1
HPA	HYPOXANTHINE	A	1QQA	1
HPA	HYPOXANTHINE	A	1VFN	1
HPA	HYPOXANTHINE	A	1VPW	1
HPA	HYPOXANTHINE	A	2EEV	1
HPA	HYPOXANTHINE	A	1A9Q	1
HPA	HYPOXANTHINE	A	1A9R	1
HPA	HYPOXANTHINE	A	2EEU	1
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	1
HPA	HYPOXANTHINE	A	1JFT	1
HPA	HYPOXANTHINE	A	2EEW	1
HPA	HYPOXANTHINE	A	2PUD	1
HPA	HYPOXANTHINE	A	1QP7	1
HPA	HYPOXANTHINE	A,M	1ZAY	1
HPA	HYPOXANTHINE	A	1JH9	1
HPA	HYPOXANTHINE	A	2EES	1
HPA	HYPOXANTHINE	A	1JFS	1
HPA	HYPOXANTHINE	A	1QP0	1
HPA	HYPOXANTHINE	A	1QPZ	1
HPA	HYPOXANTHINE	A	1U8D	1
HPA	HYPOXANTHINE	A	1QQB	1
HPA	HYPOXANTHINE	A	1BDH	1
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	1
HPA	HYPOXANTHINE	A	1QP4	1
HPA	HYPOXANTHINE	A,B,C	3FNQ	1