Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03313975
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 |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.74 |  |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.74 | |
NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.73 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.73 | |
| NI9 | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.73 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.73 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.72 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.77 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.77 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.9 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.9 | |
| 1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.9 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.79 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.79 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.7 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.7 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.7 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 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 | 0.74 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.7 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.81 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.73 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.73 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.7 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.77 | |
SPY | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.85 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.71 | |
D4G | A,B,C,D | 2FDY | 0.79 | | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.73 | |