Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00001046
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 |
SPZ![]() | (3S,3'S)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNU | 0.72 | ![]() |
DIP![]() | DIPENTYLAMINE | C,D | 1A1B | 0.78 | ![]() |
DIP![]() | DIPENTYLAMINE | C,D | 1A07 | 0.78 | ![]() |
DIP![]() | DIPENTYLAMINE | C,D | 1A1A | 0.78 | ![]() |
DIP![]() | DIPENTYLAMINE | C,D | 1A08 | 0.78 | ![]() |
DIP![]() | DIPENTYLAMINE | C,D | 1A09 | 0.78 | ![]() |
PIP![]() | PIPERIDINE | H | 1ETS | 0.78 | ![]() |
PIP![]() | PIPERIDINE | H | 1ETT | 0.78 | ![]() |
PIP![]() | PIPERIDINE | E,I | 1PPC | 0.78 | ![]() |
PIP![]() | PIPERIDINE | I | 1QUR | 0.78 | ![]() |
PIP![]() | PIPERIDINE | E | 1PPH | 0.78 | ![]() |
DRE![]() | N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE | A,B | 1Z6L | 0.76 | ![]() |
EPI![]() | 4-ETHYLPIPERIDINE | H,I | 1FPC | 0.73 | ![]() |
FXY![]() | 1-METHYLHEPTYLFORMAMIDE | A,B | 1U3W | 0.74 | ![]() |
NMH![]() | (R)-N-(1-METHYL-HEXYL)-FORMAMIDE | A,B,C,D | 1P1R | 0.72 | ![]() |
DIY![]() | 5-BUTYLPIPERIDINE | C,D | 1A1E | 0.83 | ![]() |
4PN![]() | 4-PIPERIDINO-PIPERIDINE | A | 1K4Y | 0.76 | ![]() |
2EP![]() | 2-ETHYLPIPERIDINE | H,I | 1A4W | 0.92 | ![]() |
SPJ![]() | (3R,3'R)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNM | 0.72 | ![]() |