Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541046
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 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.7 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.7 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.73 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.75 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.71 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.76 | ![]() |
NTS![]() | NAPHTHALENE TRISULFONATE | A | 1RML | 0.73 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | I | 1QUR | 0.75 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | E,I | 1PPC | 0.75 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | H | 1ETS | 0.75 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.72 | ![]() |
DEN![]() | INDENE | A | 183L | 0.72 | ![]() |
B70![]() | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.7 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.73 | ![]() |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 0.86 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.84 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.84 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.73 | ![]() |
FNP![]() | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.72 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.84 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.84 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B | 1PNM | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1S2N | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H18 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 3H17 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2CBG | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1SUP | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1V6C | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1WPR | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A,B | 1AUR | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 1KLT | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | A | 2GKO | 0.7 | ![]() |
PMS![]() | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.7 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.73 | ![]() |
BPS![]() | A,B | 2DE4 | 0.72 | ![]() | |
BIH![]() | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.75 | ![]() |
BDB![]() | A,B | 1KE3 | 0.76 | ![]() |