Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01740266
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 |
37T | THEOBROMINE | A | 2EFJ | 0.85 |  |
CFF | CAFFEINE | A,B | 1L5Q | 0.88 | |
| CFF | CAFFEINE | A,B | 2A3B | 0.88 | |
| CFF | CAFFEINE | A,B | 1L7X | 0.88 | |
| CFF | CAFFEINE | A | 1GFZ | 0.88 | |
| CFF | CAFFEINE | A,B | 3DDW | 0.88 | |
| CFF | CAFFEINE | A,B | 3DD1 | 0.88 | |
| CFF | CAFFEINE | A,B | 3DDS | 0.88 | |
| CFF | CAFFEINE | A | 1C8L | 0.88 | |
HA1 | 9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE | A | 1V48 | 0.7 | |
H33 | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE | A | 2UY3 | 0.84 | |
AMR | 3,5-DIAMINO-N-(AMINOIMINOMETHYL)- 6-CHLOROPYRAZINECARBOXAMIDE | A | 1F5L | 0.72 | |
AC2 | 9-HYROXYETHOXYMETHYLGUANINE | A,B | 2KI5 | 0.71 | |
| AC2 | 9-HYROXYETHOXYMETHYLGUANINE | E | 1PWY | 0.71 | |
GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B,C,D,E,F, G,H | 1QPY | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1RRU | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | B | 1PDT | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1PUP | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | B | 1NR8 | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 1XJ9 | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A | 176D | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B,C,D | 1HZS | 0.73 | |
| GPN | 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- GUANINE | A,B | 2K4G | 0.73 | |
AGD | 3-(2-amino-6-oxo-1,6-dihydro-9H- purin-9-yl)-D-alanine | A,B,C,D | 3C1P | 0.72 | |
PE2 | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT- 1-YL)GUANINE | A,B | 1KI3 | 0.71 | |
PNX | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE | A,B | 2A3C | 0.84 | |
209 | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.83 | |
203 | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU3 | 0.73 | |
| 203 | 1,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN- 4(3H)-ONE 2,2-DIOXIDE | A,B | 2IU0 | 0.73 | |
TEP | THEOPHYLLINE | A | 1EHT | 0.81 | |
| TEP | THEOPHYLLINE | A,B | 2A3A | 0.81 | |
| TEP | THEOPHYLLINE | A | 1O15 | 0.81 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.83 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.83 | |
GU7 | 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL- ETHYLAMINO)-ETHYL]-1,7-DIHYDRO- PURIN-6-ONE | A | 1FXU | 0.71 | |
D1H | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | A,B | 2IUZ | 0.84 | |
XAN | XANTHINE | A | 3GAO | 0.78 | |
| XAN | XANTHINE | 2,3,4,A,B,C, J,K,L,S,T,U | 3EUB | 0.78 | |
| XAN | XANTHINE | A,B,C,D,E,F | 1YR3 | 0.78 | |
| XAN | XANTHINE | A | 2UZ9 | 0.78 | |
| XAN | XANTHINE | A,B,C,D,E,F, G,H | 2W3S | 0.78 | |
| XAN | XANTHINE | A,B,C,D | 1A96 | 0.78 | |