Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02446370
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 |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.84 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.74 | ![]() |
BDB![]() | A,B | 1KE3 | 0.75 | ![]() | |
PXY![]() | PARA-XYLENE | A | 187L | 0.72 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.72 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.76 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.76 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.74 | ![]() |
BPS![]() | A,B | 2DE4 | 0.71 | ![]() | |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.77 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.77 | ![]() |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 0.78 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.76 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.76 | ![]() |
3BT![]() | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.7 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.71 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.71 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.74 | ![]() |
4BT![]() | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.7 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.74 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.74 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.74 | ![]() |
DEN![]() | INDENE | A | 183L | 0.71 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.71 | ![]() |
B70![]() | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.71 | ![]() |
B69![]() | A | 2ZCR | 0.72 | ![]() | |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.73 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.77 | ![]() |