Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01228464
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 | 0.85 |  |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.85 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.79 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.72 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.75 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.74 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.77 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.75 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.76 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.76 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.81 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.81 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.72 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.74 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.76 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.76 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.8 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.8 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.8 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.78 | |
MR3 | 1-METHYL-1H-PYRROLE | X | 2OU0 | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.7 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.8 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.76 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.76 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.76 | |
D4G | A,B,C,D | 2FDY | 0.76 | | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.79 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.79 | |
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 | 0.77 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.77 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.77 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.75 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.71 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.8 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.86 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.71 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.71 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.71 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.71 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.71 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.71 | |