Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02039055
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 | 0.78 |  |
209 | 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE- 2,6-DIONE | A | 1RS2 | 0.84 | |
CFF | CAFFEINE | A,B | 1L5Q | 0.76 | |
| CFF | CAFFEINE | A,B | 2A3B | 0.76 | |
| CFF | CAFFEINE | A,B | 1L7X | 0.76 | |
| CFF | CAFFEINE | A | 1GFZ | 0.76 | |
| CFF | CAFFEINE | A,B | 3DDW | 0.76 | |
| CFF | CAFFEINE | A,B | 3DD1 | 0.76 | |
| CFF | CAFFEINE | A,B | 3DDS | 0.76 | |
| CFF | CAFFEINE | A | 1C8L | 0.76 | |
IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.85 | |
| IBM | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.85 | |
PNX | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7- DIHYDRO-1H-PURINE-2,6-DIONE | A,B | 2A3C | 0.79 | |
D1H | 1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL- 3,7-DIHYDRO-1H-PURINE-2,6-DIONE) | A,B | 2IUZ | 0.78 | |
H33 | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO- 1H-PURINE-2,6-DIONE | A | 2UY3 | 0.82 | |
M01 | 1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine | A | 2VNW | 0.73 | |
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 | |
ANG | 8-AMINOGUANINE | A,C | 1M3Q | 0.7 | |
| ANG | 8-AMINOGUANINE | A,E | 1LWV | 0.7 | |
BDI | 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE | A | 2Z1W | 0.78 | |
| BDI | 2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5- D]PYRIDAZINE-4,7-DIONE | A | 1N2V | 0.78 | |
TSX | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.7 | |
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 | |