Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02356840
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 | |
MAJ | indane-5-sulfonamide | A | 2QOA | 0.75 | |
PVS | (ethenylsulfonyl)benzene | A | 3BLU | 0.73 | |
PXY | PARA-XYLENE | A | 187L | 0.7 | |
PXY | PARA-XYLENE | A | 225L | 0.7 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.73 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.79 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.79 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.79 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.79 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.79 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.79 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.79 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.79 | |
SEH | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.72 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.72 | |
BZB | BENZO[B]THIOPHENE-2-BORONIC ACID | A,B | 3FKV | 0.73 | |
BZB | BENZO[B]THIOPHENE-2-BORONIC ACID | A,B | 1C3B | 0.73 | |
DEN | INDENE | A | 183L | 0.77 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.71 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.71 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.71 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.71 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.71 | |
B70 | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.7 | |
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 | |
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.78 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.73 | |
BPS | A,B | 2DE4 | 0.72 | ||
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.71 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.71 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.73 |