Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00417903
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 |
MI1![]() | 3-{(3R,4R)-4-methyl-3-[methyl(7H- pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin- 1-yl}-3-oxopropanenitrile | A,B | 3FUP | 0.71 | ![]() |
MI1![]() | 3-{(3R,4R)-4-methyl-3-[methyl(7H- pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin- 1-yl}-3-oxopropanenitrile | A | 3EYG | 0.71 | ![]() |
PF2![]() | 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin- 1-yl)carbonyl]pyrrolidin-3-yl}piperazin- 1-yl)pyrimidine | A,B | 3F8S | 0.88 | ![]() |
JNO![]() | 2-{4-[(4-imidazo[1,2-a]pyridin- 3-ylpyrimidin-2-yl)amino]piperidin- 1-yl}-N-methylacetamide | A | 3CGO | 0.71 | ![]() |
572![]() | 4-[2-(HYDROXYMETHYL)PYRIMIDIN-4- YL]-N,N-DIMETHYLPIPERAZINE-1-SULFONAMIDE | A,B,C,D | 1PL6 | 0.71 | ![]() |
LG3![]() | PYRIMIDINE-2,4-DIAMINE | A | 2EUN | 0.72 | ![]() |
P1R![]() | PYRIMIDINE | X | 2GTF | 0.71 | ![]() |
LGA![]() | PYRIMIDIN-2-AMINE | A | 2JJC | 0.73 | ![]() |
MXD![]() | 6-PIPERIDIN-1-YLPYRIMIDINE-2,4- DIAMINE 3-OXIDE | A,B | 3B6H | 0.72 | ![]() |