Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006587
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 |
D4G | A,B,C,D | 2FDY | 0.73 | ||
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.74 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.74 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.73 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.75 | |
6PC | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.75 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.76 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.76 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.76 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.72 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.7 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.86 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.86 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.71 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.72 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.71 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.72 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.72 | |
985 | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.77 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.73 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.77 |