Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01478645
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 |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.71 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.76 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.76 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.76 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.75 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.75 | |
CK3 | N-[4-(2,4-DIMETHYL-1,3-THIAZOL- 5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | A | 1PXK | 0.76 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A,C | 2C5O | 0.76 | |
CK2 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A | 1PXJ | 0.76 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.78 | |
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 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.74 | |
L22 | 4-(2-amino-1,3-thiazol-4-yl)pyrimidin- 2-amine | A,B | 2W70 | 0.76 | |
N3T | A,B | 1TKA | 0.71 | ||
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.72 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.72 | |
THZ | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.75 | |
THZ | BENZOTHIAZOLE | H,I,R | 1B5G | 0.75 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.72 | |
FR0 | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)- 2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE | A | 1NDV | 0.73 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.74 | |
TMG | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE | A | 1YVM | 0.77 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.7 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.7 | |
CK7 | [4-(2-AMINO-4-METHYL-THIAZOL-5- YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)- AMINE | A | 1PXO | 0.72 | |
CK7 | [4-(2-AMINO-4-METHYL-THIAZOL-5- YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)- AMINE | A,C | 2C5P | 0.72 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.76 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.76 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.7 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A | 2RHQ | 0.7 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A,B,C,D | 2RHS | 0.7 |