Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005550
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 |
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 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.76 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.71 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.71 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.71 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.74 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.72 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.8 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.8 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.78 | |
| INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.78 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.7 | |
| HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.73 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.73 | |
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 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.76 | |
| 6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.76 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.73 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.71 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.71 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.74 | |
4PP | C,L | 1XKA | 0.73 | | |
| 4PP | A,B,C,D | 1XKB | 0.73 | |