Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865218
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 |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.75 |  |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.74 | |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.77 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.72 | |
| ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.72 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.72 | |
D4G | A,B,C,D | 2FDY | 0.77 | | |
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 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.72 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 1DMA | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 1ISM | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 1YC5 | 0.72 | |
| NCA | NICOTINAMIDE | A | 2ZB7 | 0.72 | |
| NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 2QQG | 0.72 | |
| NCA | NICOTINAMIDE | A | 2OTV | 0.72 | |
| NCA | NICOTINAMIDE | A | 2QHF | 0.72 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 2HJH | 0.72 | |
| NCA | NICOTINAMIDE | A | 2A15 | 0.72 | |
| NCA | NICOTINAMIDE | A | 2R6V | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 1ISI | 0.72 | |
| NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.72 | |
| NCA | NICOTINAMIDE | A | 2H4J | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 2OD9 | 0.72 | |
| NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.72 | |
| NCA | NICOTINAMIDE | A,B | 3DZG | 0.72 | |
| NCA | NICOTINAMIDE | A | 1OJU | 0.72 | |
M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2ESM | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A,B | 2F2U | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 2GNI | 0.73 | |
| M77 | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE | A | 1Q8W | 0.73 | |
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 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.7 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.72 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.72 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.81 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.81 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.72 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.72 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.73 | |