Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02125918
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 | 0.73 |  |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.7 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.7 | |
209 | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.74 | |
H33 | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE | A | 2UY3 | 0.75 | |
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 | |
TEP | THEOPHYLLINE | A | 1EHT | 0.71 | |
| TEP | THEOPHYLLINE | A,B | 2A3A | 0.71 | |
| TEP | THEOPHYLLINE | A | 1O15 | 0.71 | |
5AC | 5-amino-1H-imidazole-4-carboxamide | A,B | 3CL8 | 0.71 | |
AMR | 3,5-DIAMINO-N-(AMINOIMINOMETHYL)- 6-CHLOROPYRAZINECARBOXAMIDE | A | 1F5L | 0.88 | |