MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003202

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
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D,E,F, G,H	1QPY	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1RRU	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1PDT	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1PUP	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	B	1NR8	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	1XJ9	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A	176D	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B,C,D	1HZS	0.77
GPN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE	A,B	2K4G	0.77
ANG	8-AMINOGUANINE	A,C	1M3Q	0.8
ANG	8-AMINOGUANINE	A,E	1LWV	0.8
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.81
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.74
A2F	2-fluoroadenine	A	3GOT	0.72
A2F	2-fluoroadenine	A,B,C	3GB9	0.72
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.95
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.95
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.73
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.73
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.78
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.95
HPA	HYPOXANTHINE	A	1PNR	0.87
HPA	HYPOXANTHINE	A	2EET	0.87
HPA	HYPOXANTHINE	A	2PUG	0.87
HPA	HYPOXANTHINE	A	1A9T	0.87
HPA	HYPOXANTHINE	A	1BDI	0.87
HPA	HYPOXANTHINE	A	1QQA	0.87
HPA	HYPOXANTHINE	A	1VFN	0.87
HPA	HYPOXANTHINE	A	1VPW	0.87
HPA	HYPOXANTHINE	A	2EEV	0.87
HPA	HYPOXANTHINE	A	1A9Q	0.87
HPA	HYPOXANTHINE	A	1A9R	0.87
HPA	HYPOXANTHINE	A	2EEU	0.87
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.87
HPA	HYPOXANTHINE	A	1JFT	0.87
HPA	HYPOXANTHINE	A	2EEW	0.87
HPA	HYPOXANTHINE	A	2PUD	0.87
HPA	HYPOXANTHINE	A	1QP7	0.87
HPA	HYPOXANTHINE	A,M	1ZAY	0.87
HPA	HYPOXANTHINE	A	1JH9	0.87
HPA	HYPOXANTHINE	A	2EES	0.87
HPA	HYPOXANTHINE	A	1JFS	0.87
HPA	HYPOXANTHINE	A	1QP0	0.87
HPA	HYPOXANTHINE	A	1QPZ	0.87
HPA	HYPOXANTHINE	A	1U8D	0.87
HPA	HYPOXANTHINE	A	1QQB	0.87
HPA	HYPOXANTHINE	A	1BDH	0.87
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.87
HPA	HYPOXANTHINE	A	1QP4	0.87
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.87
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.93
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.86
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.73
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.75
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.9
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.9
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.81
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.76
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.76
37T	THEOBROMINE	A	2EFJ	0.95
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.75
TEP	THEOPHYLLINE	A	1EHT	1
TEP	THEOPHYLLINE	A,B	2A3A	1
TEP	THEOPHYLLINE	A	1O15	1
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
ADE	ADENINE	A	1WEI	0.73
ADE	ADENINE	A	2QLU	0.73
ADE	ADENINE	A,B	2H8G	0.73
ADE	ADENINE	A,B	1HQC	0.73
ADE	ADENINE	A	1AHA	0.73
ADE	ADENINE	A,B,C,D,E,F, G,H	1BJQ	0.73
ADE	ADENINE	A,B,D	1YXM	0.73
ADE	ADENINE	A	1CB0	0.73
ADE	ADENINE	A,B	2QTT	0.73
ADE	ADENINE	A,B,C	1XE8	0.73
ADE	ADENINE	A,B	1M2T	0.73
ADE	ADENINE	A	2P8N	0.73
ADE	ADENINE	A,B,C	2PQJ	0.73
ADE	ADENINE	A,B,C	1VRL	0.73
ADE	ADENINE	A,B	3BSF	0.73
ADE	ADENINE	X	1Y26	0.73
ADE	ADENINE	A,B	1ZN7	0.73
ADE	ADENINE	A,B	1Z5N	0.73
ADE	ADENINE	A	1QB7	0.73
ADE	ADENINE	A	1LU1	0.73
ADE	ADENINE	A,B	1Q8Y	0.73
ADE	ADENINE	A	2QES	0.73
ADE	ADENINE	A	2PUB	0.73
ADE	ADENINE	A	1Z8D	0.73
ADE	ADENINE	A	1JH8	0.73
ADE	ADENINE	A	1QD2	0.73
ADE	ADENINE	A	2ICS	0.73
ADE	ADENINE	A	1IFS	0.73
ADE	ADENINE	A	1NLI	0.73
ADE	ADENINE	A,B	1D2A	0.73
ADE	ADENINE	A	1GIU	0.73
ADE	ADENINE	A	1J1R	0.73
ADE	ADENINE	A	2QET	0.73
ADE	ADENINE	A,B,C	1OD4	0.73
ADE	ADENINE	A,B	1QCI	0.73
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.73
ADE	ADENINE	A,B	1JYS	0.73
ADE	ADENINE	A	1LPD	0.73
ADE	ADENINE	A,B	1OD2	0.73
ADE	ADENINE	A	1WTA	0.73
ADE	ADENINE	A,B,C	1S2D	0.73
ADE	ADENINE	A	1MUD	0.73
ADE	ADENINE	A	2PUE	0.73
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.72
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.73
BRG	8-BROMOGUANINE	A,E	1LWW	0.78
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.7
XAN	XANTHINE	A	3GAO	0.96
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.96
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.96
XAN	XANTHINE	A	2UZ9	0.96
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.96
XAN	XANTHINE	A,B,C,D	1A96	0.96
GUN	GUANINE	A,B	1IT7	0.87
GUN	GUANINE	A,B,C,D	3BP1	0.87
GUN	GUANINE	A	1XT4	0.87
GUN	GUANINE	A	1ULB	0.87
GUN	GUANINE	A,B	2I9U	0.87
GUN	GUANINE	A	2JH9	0.87
GUN	GUANINE	E	1V2H	0.87
GUN	GUANINE	A	2JHA	0.87
GUN	GUANINE	A,B,C,D	1A95	0.87
GUN	GUANINE	A,B,C	1XE7	0.87
GUN	GUANINE	A,B,C	1YQQ	0.87
GUN	GUANINE	A,B	1D6A	0.87
GUN	GUANINE	A	1WET	0.87
GUN	GUANINE	A	2PUF	0.87
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.87
GUN	GUANINE	A,B,C	1VMK	0.87
GUN	GUANINE	A,B,C	1YQU	0.87
GUN	GUANINE	A	2JHC	0.87
GUN	GUANINE	A	2JH8	0.87
GUN	GUANINE	A	2JHP	0.87
GUN	GUANINE	A	2PUC	0.87
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.87
GUN	GUANINE	A,B,C,D,E,F	2O74	0.87
GUN	GUANINE	A	2PWU	0.87
GUN	GUANINE	A	2OOD	0.87
GUN	GUANINE	A	2POT	0.87
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.72
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.72
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.73
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
CFF	CAFFEINE	A,B	1L5Q	0.91
CFF	CAFFEINE	A,B	2A3B	0.91
CFF	CAFFEINE	A,B	1L7X	0.91
CFF	CAFFEINE	A	1GFZ	0.91
CFF	CAFFEINE	A,B	3DDW	0.91
CFF	CAFFEINE	A,B	3DD1	0.91
CFF	CAFFEINE	A,B	3DDS	0.91
CFF	CAFFEINE	A	1C8L	0.91
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.75