Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02329329
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 | ![]() |
TEP![]() | THEOPHYLLINE | A | 1EHT | 0.7 | ![]() |
TEP![]() | THEOPHYLLINE | A,B | 2A3A | 0.7 | ![]() |
TEP![]() | THEOPHYLLINE | A | 1O15 | 0.7 | ![]() |
CFF![]() | CAFFEINE | A,B | 1L5Q | 0.71 | ![]() |
CFF![]() | CAFFEINE | A,B | 2A3B | 0.71 | ![]() |
CFF![]() | CAFFEINE | A,B | 1L7X | 0.71 | ![]() |
CFF![]() | CAFFEINE | A | 1GFZ | 0.71 | ![]() |
CFF![]() | CAFFEINE | A,B | 3DDW | 0.71 | ![]() |
CFF![]() | CAFFEINE | A,B | 3DD1 | 0.71 | ![]() |
CFF![]() | CAFFEINE | A,B | 3DDS | 0.71 | ![]() |
CFF![]() | CAFFEINE | A | 1C8L | 0.71 | ![]() |
37T![]() | THEOBROMINE | A | 2EFJ | 0.72 | ![]() |
XAN![]() | XANTHINE | A | 3GAO | 0.71 | ![]() |
XAN![]() | XANTHINE | 2,3,4,A,B,C, J,K,L,S,T,U | 3EUB | 0.71 | ![]() |
XAN![]() | XANTHINE | A,B,C,D,E,F | 1YR3 | 0.71 | ![]() |
XAN![]() | XANTHINE | A | 2UZ9 | 0.71 | ![]() |
XAN![]() | XANTHINE | A,B,C,D,E,F, G,H | 2W3S | 0.71 | ![]() |
XAN![]() | XANTHINE | A,B,C,D | 1A96 | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DY8 | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2HD1 | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYN | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYS | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2YY2 | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3ECN | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYL | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D | 1ZKN | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 2R8Q | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B,C,D,E,F, G,H,I,J,K,L | 1SOJ | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A,B | 3DYQ | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1RKP | 0.71 | ![]() |
IBM![]() | 3-ISOBUTYL-1-METHYLXANTHINE | A | 1ZKL | 0.71 | ![]() |
LUZ![]() | pteridine-2,4(1H,3H)-dione | A,B,C,L,M,N | 3ETR | 0.78 | ![]() |