Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02863587
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 |
GC7 | 1-GUANIDINIUM-7-AMINOHEPTANE | A,B | 1RQD | 0.76 | |
2EP | 2-ETHYLPIPERIDINE | H,I | 1A4W | 0.81 | |
FXY | 1-METHYLHEPTYLFORMAMIDE | A,B | 1U3W | 0.82 | |
DIA | OCTANE 1,8-DIAMINE | A,B | 3BI5 | 0.76 | |
DIA | OCTANE 1,8-DIAMINE | A,B,C | 1H83 | 0.76 | |
NMH | (R)-N-(1-METHYL-HEXYL)-FORMAMIDE | A,B,C,D | 1P1R | 0.79 | |
DIX | METHYL(CYCLOPENTYL-PROPYL)AMINE | C,D | 1A1C | 0.77 | |
HPL | HEPTYLFORMAMIDE | A,B | 1U3V | 0.74 | |
DIY | 5-BUTYLPIPERIDINE | C,D | 1A1E | 0.73 | |
297 | dodecane-1,12-diamine | A,B | 3BI2 | 0.76 | |
SPZ | (3S,3'S)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNU | 0.75 | |
SPJ | (3R,3'R)-N~1~,N~1~'-butane-1,4- diyldibutane-1,3-diamine | A,B | 3BNM | 0.75 | |
DRE | N-(6-AMINOHEXYL)HEXANE-1,6-DIAMINE | A,B | 1Z6L | 0.79 | |
CAT | DODECANE-TRIMETHYLAMINE | A,B | 2SHP | 0.74 | |
DIP | DIPENTYLAMINE | C,D | 1A1B | 0.82 | |
DIP | DIPENTYLAMINE | C,D | 1A07 | 0.82 | |
DIP | DIPENTYLAMINE | C,D | 1A1A | 0.82 | |
DIP | DIPENTYLAMINE | C,D | 1A08 | 0.82 | |
DIP | DIPENTYLAMINE | C,D | 1A09 | 0.82 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A | 3HF0 | 0.71 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A,B,C,D | 1KPG | 0.71 | |
16A | CETYL-TRIMETHYL-AMMONIUM | A | 1TPY | 0.71 |