Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03169540
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 |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.73 |  |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.73 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.83 | |
CK1 | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN- 2-AMINE | A | 1PXI | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.77 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.79 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.79 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.79 | |
CK3 | N-[4-(2,4-DIMETHYL-1,3-THIAZOL- 5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | A | 1PXK | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.73 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.72 | |
| CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.72 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.75 | |
BTS | 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID | A,B | 1SUX | 0.7 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.71 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.74 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.74 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.74 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A,C | 2C5O | 0.74 | |
| CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A | 1PXJ | 0.74 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.78 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.78 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.78 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.75 | |
D4G | A,B,C,D | 2FDY | 0.76 | | |
THZ | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.78 | |
| THZ | BENZOTHIAZOLE | H,I,R | 1B5G | 0.78 | |
654 | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.76 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.77 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.77 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.77 | |