Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01737060
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 |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.77 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.71 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.71 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.73 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.71 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.78 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.78 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.73 | |
M2C | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.71 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.75 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.86 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.75 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.73 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.73 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.72 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.75 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 |