Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727959
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 |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.84 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.84 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.72 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.72 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.72 | |
D4G | A,B,C,D | 2FDY | 0.78 | ||
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.73 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.7 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.75 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.81 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.81 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.7 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.74 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.85 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.74 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.8 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.92 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.92 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.92 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.75 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.79 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.79 |