Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02806096
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 |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.74 |  |
B71 | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2ZEU | 0.71 | |
| B71 | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2ZEV | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.73 | |
PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 3FHX | 0.72 | |
| PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2DDW | 0.72 | |
| PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9W | 0.72 | |
| PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 2Z9X | 0.72 | |
| PXL | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | A,B | 1TD2 | 0.72 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.75 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.72 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.72 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.72 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.72 | |
| PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.72 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.73 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.76 | |
| NTM | QUINOLINIC ACID | A,B | 1QAP | 0.76 | |
| NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.76 | |
| NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.76 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.76 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.76 | |
D2G | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.74 | |
721 | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium | A,B | 3DYH | 0.72 | |
PXA | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL- 10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE | A | 209D | 0.74 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.76 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.76 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.76 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.76 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.73 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.73 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.73 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.73 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.73 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.73 | |
714 | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium | A,B | 3EFQ | 0.72 | |
D3G | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.73 | |
PXG | 3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID | A | 1B9I | 0.71 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.72 | |
| INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.72 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.73 | |
722 | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium | A,B | 3EGT | 0.72 | |
282 | 3-methoxypyridine | X | 2RBZ | 0.77 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.81 | |
| 6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.81 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.7 | |