MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024953

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
CFF	CAFFEINE	A,B	1L5Q	0.9
CFF	CAFFEINE	A,B	2A3B	0.9
CFF	CAFFEINE	A,B	1L7X	0.9
CFF	CAFFEINE	A	1GFZ	0.9
CFF	CAFFEINE	A,B	3DDW	0.9
CFF	CAFFEINE	A,B	3DD1	0.9
CFF	CAFFEINE	A,B	3DDS	0.9
CFF	CAFFEINE	A	1C8L	0.9
ANG	8-AMINOGUANINE	A,C	1M3Q	0.8
ANG	8-AMINOGUANINE	A,E	1LWV	0.8
PE2	9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE	A,B	1KI3	0.72
D1H	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE)	A,B	2IUZ	0.81
A2F	2-fluoroadenine	A	3GOT	0.72
A2F	2-fluoroadenine	A,B,C	3GB9	0.72
HGL	(2S)-2-amino-4-(2-amino-6-oxo-1,6- dihydro-9H-purin-9-yl)butanoic acid	A,B,C,D	3C1P	0.72
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A,B	2OFI	0.73
ADK	3-METHYL-3H-PURIN-6-YLAMINE	A	1P7M	0.73
GU7	2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE	A	1FXU	0.73
AZA	8-AZAXANTHINE	A	3BK8	0.7
AZA	8-AZAXANTHINE	A	2ICQ	0.7
AZA	8-AZAXANTHINE	A	2PES	0.7
AZA	8-AZAXANTHINE	A	2IC0	0.7
AZA	8-AZAXANTHINE	A,B,C,D,E,F, G,H	2YZD	0.7
AZA	8-AZAXANTHINE	A,B,C,D	1J2G	0.7
AZA	8-AZAXANTHINE	A,B,D,E,F,G,H	1VAY	0.7
AZA	8-AZAXANTHINE	A	2IBA	0.7
AZA	8-AZAXANTHINE	A	2FUB	0.7
AZA	8-AZAXANTHINE	A	2ZKB	0.7
AZA	8-AZAXANTHINE	A	1R51	0.7
AZA	8-AZAXANTHINE	A	3CKS	0.7
AZA	8-AZAXANTHINE	A,B	2H0F	0.7
AZA	8-AZAXANTHINE	A	3CKU	0.7
AZA	8-AZAXANTHINE	A	2ZKA	0.7
290	6-methyl-3,9-dihydro-2H-purin-2- one	A,B,C,I,J,K	3B9J	0.7
HPA	HYPOXANTHINE	A	1PNR	0.88
HPA	HYPOXANTHINE	A	2EET	0.88
HPA	HYPOXANTHINE	A	2PUG	0.88
HPA	HYPOXANTHINE	A	1A9T	0.88
HPA	HYPOXANTHINE	A	1BDI	0.88
HPA	HYPOXANTHINE	A	1QQA	0.88
HPA	HYPOXANTHINE	A	1VFN	0.88
HPA	HYPOXANTHINE	A	1VPW	0.88
HPA	HYPOXANTHINE	A	2EEV	0.88
HPA	HYPOXANTHINE	A	1A9Q	0.88
HPA	HYPOXANTHINE	A	1A9R	0.88
HPA	HYPOXANTHINE	A	2EEU	0.88
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W55	0.88
HPA	HYPOXANTHINE	A	1JFT	0.88
HPA	HYPOXANTHINE	A	2EEW	0.88
HPA	HYPOXANTHINE	A	2PUD	0.88
HPA	HYPOXANTHINE	A	1QP7	0.88
HPA	HYPOXANTHINE	A,M	1ZAY	0.88
HPA	HYPOXANTHINE	A	1JH9	0.88
HPA	HYPOXANTHINE	A	2EES	0.88
HPA	HYPOXANTHINE	A	1JFS	0.88
HPA	HYPOXANTHINE	A	1QP0	0.88
HPA	HYPOXANTHINE	A	1QPZ	0.88
HPA	HYPOXANTHINE	A	1U8D	0.88
HPA	HYPOXANTHINE	A	1QQB	0.88
HPA	HYPOXANTHINE	A	1BDH	0.88
HPA	HYPOXANTHINE	A,B,C,D,E,F, G,H	2W3R	0.88
HPA	HYPOXANTHINE	A	1QP4	0.88
HPA	HYPOXANTHINE	A,B,C	3FNQ	0.88
ADE	ADENINE	A	1WEI	0.74
ADE	ADENINE	A	2QLU	0.74
ADE	ADENINE	A,B	2H8G	0.74
ADE	ADENINE	A,B	1HQC	0.74
ADE	ADENINE	A	1AHA	0.74
ADE	ADENINE	A,B,C,D,E,F, G,H	1BJQ	0.74
ADE	ADENINE	A,B,D	1YXM	0.74
ADE	ADENINE	A	1CB0	0.74
ADE	ADENINE	A,B	2QTT	0.74
ADE	ADENINE	A,B,C	1XE8	0.74
ADE	ADENINE	A,B	1M2T	0.74
ADE	ADENINE	A	2P8N	0.74
ADE	ADENINE	A,B,C	2PQJ	0.74
ADE	ADENINE	A,B,C	1VRL	0.74
ADE	ADENINE	A,B	3BSF	0.74
ADE	ADENINE	X	1Y26	0.74
ADE	ADENINE	A,B	1ZN7	0.74
ADE	ADENINE	A,B	1Z5N	0.74
ADE	ADENINE	A	1QB7	0.74
ADE	ADENINE	A	1LU1	0.74
ADE	ADENINE	A,B	1Q8Y	0.74
ADE	ADENINE	A	2QES	0.74
ADE	ADENINE	A	2PUB	0.74
ADE	ADENINE	A	1Z8D	0.74
ADE	ADENINE	A	1JH8	0.74
ADE	ADENINE	A	1QD2	0.74
ADE	ADENINE	A	2ICS	0.74
ADE	ADENINE	A	1IFS	0.74
ADE	ADENINE	A	1NLI	0.74
ADE	ADENINE	A,B	1D2A	0.74
ADE	ADENINE	A	1GIU	0.74
ADE	ADENINE	A	1J1R	0.74
ADE	ADENINE	A	2QET	0.74
ADE	ADENINE	A,B,C	1OD4	0.74
ADE	ADENINE	A,B	1QCI	0.74
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.74
ADE	ADENINE	A,B	1JYS	0.74
ADE	ADENINE	A	1LPD	0.74
ADE	ADENINE	A,B	1OD2	0.74
ADE	ADENINE	A	1WTA	0.74
ADE	ADENINE	A,B,C	1S2D	0.74
ADE	ADENINE	A	1MUD	0.74
ADE	ADENINE	A	2PUE	0.74
PNX	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE	A,B	2A3C	0.81
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.74
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.74
LUZ	pteridine-2,4(1H,3H)-dione	A,B,C,L,M,N	3ETR	0.71
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	2Z1W	0.71
BDI	2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE	A	1N2V	0.71
BRG	8-BROMOGUANINE	A,E	1LWW	0.78
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.94
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.94
H33	8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE	A	2UY3	0.94
8IG	8-IODO-GUANINE	A,B,C	1C3X	0.79
AC2	9-HYROXYETHOXYMETHYLGUANINE	A,B	2KI5	0.75
AC2	9-HYROXYETHOXYMETHYLGUANINE	E	1PWY	0.75
TEP	THEOPHYLLINE	A	1EHT	0.99
TEP	THEOPHYLLINE	A,B	2A3A	0.99
TEP	THEOPHYLLINE	A	1O15	0.99
209	8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE	A	1RS2	0.94
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU3	0.91
203	1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE	A,B	2IU0	0.91
GUN	GUANINE	A,B	1IT7	0.88
GUN	GUANINE	A,B,C,D	3BP1	0.88
GUN	GUANINE	A	1XT4	0.88
GUN	GUANINE	A	1ULB	0.88
GUN	GUANINE	A,B	2I9U	0.88
GUN	GUANINE	A	2JH9	0.88
GUN	GUANINE	E	1V2H	0.88
GUN	GUANINE	A	2JHA	0.88
GUN	GUANINE	A,B,C,D	1A95	0.88
GUN	GUANINE	A,B,C	1XE7	0.88
GUN	GUANINE	A,B,C	1YQQ	0.88
GUN	GUANINE	A,B	1D6A	0.88
GUN	GUANINE	A	1WET	0.88
GUN	GUANINE	A	2PUF	0.88
GUN	GUANINE	A,B,D,F,G,H, I,J,L,M,O,P	1SQL	0.88
GUN	GUANINE	A,B,C	1VMK	0.88
GUN	GUANINE	A,B,C	1YQU	0.88
GUN	GUANINE	A	2JHC	0.88
GUN	GUANINE	A	2JH8	0.88
GUN	GUANINE	A	2JHP	0.88
GUN	GUANINE	A	2PUC	0.88
GUN	GUANINE	A,B,C,D,E,F, G,H	1XY3	0.88
GUN	GUANINE	A,B,C,D,E,F	2O74	0.88
GUN	GUANINE	A	2PWU	0.88
GUN	GUANINE	A	2OOD	0.88
GUN	GUANINE	A	2POT	0.88
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
HA1	9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE	A	1V48	0.71
AGD	3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine	A,B,C,D	3C1P	0.74
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.74
5AC	5-amino-1H-imidazole-4-carboxamide	A,B	3CL8	0.87
DX4	2-amino-1,9-dihydro-6H-purine-6- thione	A,B,C,D	3BMG	0.7
GA2	9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE	A,B	1KI2	0.72
XAN	XANTHINE	A	3GAO	0.97
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.97
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.97
XAN	XANTHINE	A	2UZ9	0.97
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.97
XAN	XANTHINE	A,B,C,D	1A96	0.97
37T	THEOBROMINE	A	2EFJ	0.94