Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214045
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 |
LUZ | pteridine-2,4(1H,3H)-dione | A,B,C,L,M,N | 3ETR | 0.89 |  |
HHS | 6-CARBOXYPTERIN | A | 3H4A | 0.78 | |
HHR | 6-HYDROXYMETHYLPTERIN | A | 3H4A | 0.78 | |
| HHR | 6-HYDROXYMETHYLPTERIN | A,B | 1TMM | 0.78 | |
| HHR | 6-HYDROXYMETHYLPTERIN | A | 1RU2 | 0.78 | |
| HHR | 6-HYDROXYMETHYLPTERIN | A,B,C,D,E,F, G,H | 2W54 | 0.78 | |
PMM | PTERIN-6-YL-METHYL-MONOPHOSPHATE | A | 1EYE | 0.77 | |
| PMM | PTERIN-6-YL-METHYL-MONOPHOSPHATE | A | 2BMB | 0.77 | |
| PMM | PTERIN-6-YL-METHYL-MONOPHOSPHATE | A | 2VEG | 0.77 | |
| PMM | PTERIN-6-YL-METHYL-MONOPHOSPHATE | A,B | 1TWZ | 0.77 | |
HH2 | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE | A,B | 1AD4 | 0.76 | |
| HH2 | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE | A | 1RAO | 0.76 | |
| HH2 | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE | A,B | 2DZB | 0.76 | |
| HH2 | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE | A,B | 1TWW | 0.76 | |
| HH2 | 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE | A | 1RB0 | 0.76 | |
37T | THEOBROMINE | A | 2EFJ | 0.76 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.75 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.75 | |
TEP | THEOPHYLLINE | A | 1EHT | 0.74 | |
| TEP | THEOPHYLLINE | A,B | 2A3A | 0.74 | |
| TEP | THEOPHYLLINE | A | 1O15 | 0.74 | |
XAN | XANTHINE | A | 3GAO | 0.74 | |
| XAN | XANTHINE | 2,3,4,A,B,C, J,K,L,S,T,U | 3EUB | 0.74 | |
| XAN | XANTHINE | A,B,C,D,E,F | 1YR3 | 0.74 | |
| XAN | XANTHINE | A | 2UZ9 | 0.74 | |
| XAN | XANTHINE | A,B,C,D,E,F, G,H | 2W3S | 0.74 | |
| XAN | XANTHINE | A,B,C,D | 1A96 | 0.74 | |
AMR | 3,5-DIAMINO-N-(AMINOIMINOMETHYL)- 6-CHLOROPYRAZINECARBOXAMIDE | A | 1F5L | 0.73 | |
CFF | CAFFEINE | A,B | 1L5Q | 0.73 | |
| CFF | CAFFEINE | A,B | 2A3B | 0.73 | |
| CFF | CAFFEINE | A,B | 1L7X | 0.73 | |
| CFF | CAFFEINE | A | 1GFZ | 0.73 | |
| CFF | CAFFEINE | A,B | 3DDW | 0.73 | |
| CFF | CAFFEINE | A,B | 3DD1 | 0.73 | |
| CFF | CAFFEINE | A,B | 3DDS | 0.73 | |
| CFF | CAFFEINE | A | 1C8L | 0.73 | |
5AC | 5-amino-1H-imidazole-4-carboxamide | A,B | 3CL8 | 0.72 | |
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 | |
209 | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.71 | |
D1H | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | A,B | 2IUZ | 0.7 | |
PNX | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE | A,B | 2A3C | 0.7 | |