Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03087362
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 |
C1D | 1-(2-{[(6-AMINO-2-METHYLPYRIDIN- 3-YL)METHYL]AMINO}ETHYL)-6-CHLORO- 3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]- 1,4-DIHYDROPYRAZIN-2-OL | H,I | 2BXU | 0.7 |  |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.74 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.75 | |
| 6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.75 | |
PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 3GZC | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2GJ4 | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2GM9 | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 2IEG | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B | 2IEI | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D,E,F | 3FZ8 | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D,E,F | 1PMO | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D,E,F | 3FSL | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A | 2CFB | 0.7 | |
| PLR | (5-HYDROXY-4,6-DIMETHYLPYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE | A,B,C,D | 3GZD | 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 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.74 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.74 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.74 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.74 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.74 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.74 | |
ELP | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID | A | 1M0P | 0.73 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.76 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
GGV | B | 3GGV | 0.7 | | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.71 | |
| NTM | QUINOLINIC ACID | A,B | 1QAP | 0.71 | |
| NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.71 | |
| NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.71 | |
VAR | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2- c]pyrimidin-4-ol | A,B,C,D | 3BHV | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.72 | |
| PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.72 | |
| PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.72 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.78 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.75 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.7 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.7 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.73 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.73 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.73 | |
| PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.73 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.7 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.7 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.7 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.74 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.75 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.75 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.72 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.72 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.7 | |
| QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.7 | |
FPH | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4- YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | A | 1OZ1 | 0.7 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.76 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.71 | |
DRP | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.7 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.72 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.71 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.71 | |
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 | 0.72 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.72 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.72 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.75 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.76 | |