Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02146782
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 |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.73 |  |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.73 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.73 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.75 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.73 | |
| CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.73 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.77 | |
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 | |
N1T | A,B | 1TKB | 0.72 | | |
THZ | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.76 | |
| THZ | BENZOTHIAZOLE | H,I,R | 1B5G | 0.76 | |
L22 | 4-(2-amino-1,3-thiazol-4-yl)pyrimidin- 2-amine | A,B | 2W70 | 0.76 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.7 | |
| APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.7 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.76 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.71 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.78 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.78 | |
| ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.78 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.74 | |
| PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.74 | |
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 | 0.75 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.75 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.75 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.7 | |
CK3 | N-[4-(2,4-DIMETHYL-1,3-THIAZOL- 5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | A | 1PXK | 0.74 | |
N3T | A,B | 1TKA | 0.75 | | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.74 | |
| CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.74 | |
D4G | A,B,C,D | 2FDY | 0.71 | | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | |