Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03326402
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 |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.74 | |
654 | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.7 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.72 | |
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 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.77 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.77 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.77 | |
TH1 | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL- BENZOTHIAZOLE | A | 1XL1 | 0.71 | |
THZ | BENZOTHIAZOLE | H,I,R | 1TBZ | 0.92 | |
THZ | BENZOTHIAZOLE | H,I,R | 1B5G | 0.92 | |
BTS | 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID | A,B | 1SUX | 0.8 | |
3NA | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.71 | |
TMG | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE | A | 1YVM | 0.7 | |
TFL | 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY- 3-METHYL-1,3-BENZOTHIAZOL-3-IUM | A | 2J3Q | 0.74 |