Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01075008
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 | |
MIL | MILRINONE | A,B | 1TLM | 0.72 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.71 | |
| DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.71 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.74 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.85 | |
| 6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.85 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.75 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.71 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.73 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.77 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.77 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.77 | |
FOO | (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}-2-IMINOBUT-3-ENOIC ACID | B | 2J9Y | 0.7 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.82 | |
| INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.82 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.7 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.8 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.8 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.8 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.8 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.8 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.8 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.77 | |
| HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.77 | |
MYT | METYRAPONE | A | 1PHG | 0.75 | |
| MYT | METYRAPONE | A | 1W0G | 0.75 | |
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 | |
BRF | A | 1UUO | 0.71 | | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.73 | |
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.77 | |