Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00257610
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
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 |
203![]() | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU3 | 0.71 | ![]() |
203![]() | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU0 | 0.71 | ![]() |
2EG![]() | A,B,C | 3EPG | 0.7 | ![]() | |
2EG![]() | A,B | 2HMD | 0.7 | ![]() | |
2EG![]() | A,B | 2HMR | 0.7 | ![]() | |
2EG![]() | A,B,C | 3EPI | 0.7 | ![]() | |
AGD![]() | 3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine | A,B,C,D | 3C1P | 0.76 | ![]() |
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 | 0.75 | ![]() |
63H![]() | (6R)-3-(2-deoxy-5-O-phosphono-beta- D-erythro-pentofuranosyl)-6-hydroxy- 5,6,7,8-tetrahydropyrimido[1,2- a]purin-10(3H)-one | A | 2KDA | 0.7 | ![]() |
2DI![]() | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN- 2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE | E | 1V3Q | 0.71 | ![]() |
CFF![]() | CAFFEINE | A,B | 1L5Q | 0.79 | ![]() |
CFF![]() | CAFFEINE | A,B | 2A3B | 0.79 | ![]() |
CFF![]() | CAFFEINE | A,B | 1L7X | 0.79 | ![]() |
CFF![]() | CAFFEINE | A | 1GFZ | 0.79 | ![]() |
CFF![]() | CAFFEINE | A,B | 3DDW | 0.79 | ![]() |
CFF![]() | CAFFEINE | A,B | 3DD1 | 0.79 | ![]() |
CFF![]() | CAFFEINE | A,B | 3DDS | 0.79 | ![]() |
CFF![]() | CAFFEINE | A | 1C8L | 0.79 | ![]() |
D1H![]() | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | A,B | 2IUZ | 0.82 | ![]() |
01G![]() | 1 | 2R75 | 0.72 | ![]() | |
209![]() | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.79 | ![]() |
GA2![]() | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE | A,B | 1KI2 | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D,E,F, G,H | 1QPY | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1RRU | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1PDT | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1PUP | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | B | 1NR8 | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 1XJ9 | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A | 176D | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B,C,D | 1HZS | 0.75 | ![]() |
APN![]() | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE | A,B | 2K4G | 0.75 | ![]() |
37T![]() | THEOBROMINE | A | 2EFJ | 0.81 | ![]() |
2ND![]() | 2'-DEOXYINOSINE | A | 1Z39 | 0.71 | ![]() |
AC2![]() | 9-HYROXYETHOXYMETHYLGUANINE | A,B | 2KI5 | 0.77 | ![]() |
AC2![]() | 9-HYROXYETHOXYMETHYLGUANINE | E | 1PWY | 0.77 | ![]() |
35G![]() | GUANOSINE-3',5'-MONOPHOSPHATE | A,B | 3DBA | 0.7 | ![]() |
35G![]() | GUANOSINE-3',5'-MONOPHOSPHATE | A,B | 2OUU | 0.7 | ![]() |
35G![]() | GUANOSINE-3',5'-MONOPHOSPHATE | A,B,C,D,E,F | 1BHN | 0.7 | ![]() |
35G![]() | GUANOSINE-3',5'-MONOPHOSPHATE | A | 2K31 | 0.7 | ![]() |
3DG![]() | 9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE | E | 1V45 | 0.72 | ![]() |
6HG![]() | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (GUANIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A | 481D | 0.71 | ![]() |
6HG![]() | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (GUANIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A,B,C,D,E,G | 2BJ6 | 0.71 | ![]() |
6HG![]() | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (GUANIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | B | 1EJZ | 0.71 | ![]() |
6HG![]() | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (GUANIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A,B | 1EC4 | 0.71 | ![]() |
6HG![]() | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'- (GUANIN-9-YL)-6'-O-PHOSPHORYL-D- ARABINO-HEXITOL | A | 1D7Z | 0.71 | ![]() |
13A![]() | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN- 2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO- 2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4S-ONE | A,B,C,D | 2B1G | 0.72 | ![]() |
63G![]() | (6S)-3-(2-deoxy-5-O-phosphono-beta- D-erythro-pentofuranosyl)-6-hydroxy- 5,6,7,8-tetrahydropyrimido[1,2- a]purin-10(3H)-one | A | 2KD9 | 0.7 | ![]() |