Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03257380
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 |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.73 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.73 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.73 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.78 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | ![]() |
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 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.77 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.77 | ![]() |
SPY![]() | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.82 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.74 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.72 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.86 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.86 | ![]() |
THZ![]() | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.7 | ![]() |
THZ![]() | BENZOTHIAZOLE | H,I,R | 1B5G | 0.7 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.74 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.74 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.74 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.79 | ![]() | |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.71 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.73 | ![]() |