Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00101981
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 |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.75 | |
OXE | ORTHO-XYLENE | A | 188L | 0.75 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.73 | |
SEH | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.72 | |
PXY | PARA-XYLENE | A | 187L | 0.73 | |
PXY | PARA-XYLENE | A | 225L | 0.73 | |
DEN | INDENE | A | 183L | 0.7 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.7 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.73 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.82 | |
PYL | PHENYLETHANE | C | 1B07 | 0.73 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.73 | |
PYL | PHENYLETHANE | A | 1NHB | 0.73 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.73 | |
3BT | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.75 | |
4BT | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.75 | |
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.73 | |
C1A | 1,4-BIS-{[N-(1-IMINO-1GUANIDINO- METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL- BENZENE | A | 2ANQ | 0.76 |