MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03180861

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
M01	1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine	A	2VNW	0.71
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.75
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
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.86
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.78
CFF	CAFFEINE	A,B	1L5Q	0.81
CFF	CAFFEINE	A,B	2A3B	0.81
CFF	CAFFEINE	A,B	1L7X	0.81
CFF	CAFFEINE	A	1GFZ	0.81
CFF	CAFFEINE	A,B	3DDW	0.81
CFF	CAFFEINE	A,B	3DD1	0.81
CFF	CAFFEINE	A,B	3DDS	0.81
CFF	CAFFEINE	A	1C8L	0.81
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
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.81
CHQ	CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR	A,B	1W1T	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	2YWC	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BVJ	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CU0	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2CZF	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	2VXO	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	3BPW	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1QK5	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEW	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1P4R	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A	1MEI	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1LOL	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PL0	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B	1M9N	0.71
XMP	XANTHOSINE-5'-MONOPHOSPHATE	A,B,C,D	1PKX	0.71
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.75
2ND	2'-DEOXYINOSINE	A	1Z39	0.72
ZGU	(S)-1'-(2',3'-DIHYDROXYPROPYL)- GUANINE	A	2JJA	0.71
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
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.75
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.77
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
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.73
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.74
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.74
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.81
37T	THEOBROMINE	A	2EFJ	0.83
2DI	9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE	E	1V3Q	0.73
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.77
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
XTS	9-[(2R,3R,4S,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H- PURINE-2,6-DIONE	A,C,E,G	2EG5	0.71
BRG	8-BROMOGUANINE	A,E	1LWW	0.75
GUN	GUANINE	A,B	1IT7	0.83
GUN	GUANINE	A,B,C,D	3BP1	0.83
GUN	GUANINE	A	1XT4	0.83
GUN	GUANINE	A	1ULB	0.83
GUN	GUANINE	A,B	2I9U	0.83
GUN	GUANINE	A	2JH9	0.83
GUN	GUANINE	E	1V2H	0.83
GUN	GUANINE	A	2JHA	0.83
GUN	GUANINE	A,B,C,D	1A95	0.83
GUN	GUANINE	A,B,C	1XE7	0.83
GUN	GUANINE	A,B,C	1YQQ	0.83
GUN	GUANINE	A,B	1D6A	0.83
GUN	GUANINE	A	1WET	0.83
GUN	GUANINE	A	2PUF	0.83
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.83
GUN	GUANINE	A,B,C	1VMK	0.83
GUN	GUANINE	A,B,C	1YQU	0.83
GUN	GUANINE	A	2JHC	0.83
GUN	GUANINE	A	2JH8	0.83
GUN	GUANINE	A	2JHP	0.83
GUN	GUANINE	A	2PUC	0.83
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.83
GUN	GUANINE	A,B,C,D,E,F	2O74	0.83
GUN	GUANINE	A	2PWU	0.83
GUN	GUANINE	A	2OOD	0.83
GUN	GUANINE	A	2POT	0.83
TEP	THEOPHYLLINE	A	1EHT	0.88
TEP	THEOPHYLLINE	A,B	2A3A	0.88
TEP	THEOPHYLLINE	A	1O15	0.88
ANG	8-AMINOGUANINE	A,C	1M3Q	0.77
ANG	8-AMINOGUANINE	A,E	1LWV	0.77
AMR	3,5-DIAMINO-N-(AMINOIMINOMETHYL)- 6-CHLOROPYRAZINECARBOXAMIDE	A	1F5L	0.71
LUZ	pteridine-2,4(1H,3H)-dione	A,B,C,L,M,N	3ETR	0.7
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.9
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.9
XAN	XANTHINE	A	3GAO	0.86
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.86
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.86
XAN	XANTHINE	A	2UZ9	0.86
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.86
XAN	XANTHINE	A,B,C,D	1A96	0.86
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.84
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.84