Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015633
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 |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.78 |  |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.7 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.74 | |
| 9DA | 9-DEAZAADENINE | A | 1L1Q | 0.74 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.7 | |
| IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.7 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.76 | |
LZ4 | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | A | 2VTJ | 0.7 | |
CBQ | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.72 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.77 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.77 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.77 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.76 | |
1MS | N-[(4-methylpyrimidin-2-yl)carbamoyl]- 2-nitrobenzenesulfonamide | A | 3E9Y | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.79 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.79 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.79 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.8 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.75 | |
U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RTH | 0.71 | |
| U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RT3 | 0.71 | |
| U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1LW2 | 0.71 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.81 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.73 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.7 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.74 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.72 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.72 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.73 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.9 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.81 | |