Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03246348
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 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.7 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.7 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.7 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.7 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.7 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.78 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.7 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.7 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.7 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.7 | |
M2C | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.8 | |
PXM | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL | A | 1RFT | 0.72 | |
| PXM | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL | A,B | 2Z9V | 0.72 | |
3IP | 3-(BENZYLOXY)PYRIDIN-2-AMINE | A | 1W7H | 0.72 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.79 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.77 | |
| 6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.77 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.7 | |
282 | 3-methoxypyridine | X | 2RBZ | 0.81 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.72 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.72 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.72 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.72 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.72 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.72 | |
721 | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium | A,B | 3DYH | 0.72 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.73 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.72 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.72 | |
4PY | (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H- PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN- 3-YL]OXY}PROPAN-2-AMINE | E | 2OJF | 0.7 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.8 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.8 | |
B71 | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2ZEU | 0.72 | |
| B71 | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2ZEV | 0.72 | |
722 | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium | A,B | 3EGT | 0.73 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.76 | |
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 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.71 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.71 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.71 | |
714 | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium | A,B | 3EFQ | 0.73 | |
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 | 0.7 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.7 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.7 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.76 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.71 | |