Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02158145
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 |
IQU | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.78 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.76 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.84 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.84 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 1Q8U | 0.71 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A,B | 3D9V | 0.71 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNH | 0.71 | |
H52 | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]- HOMOPIPERAZINE | A | 2GNL | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.75 | |
CMW | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.72 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.75 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.76 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.76 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.73 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.78 | |
D4G | A,B,C,D | 2FDY | 0.8 | ||
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.73 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.75 | |
CKI | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE- 8-SULFONAMIDE | A | 2CSN | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.85 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.85 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.85 |