Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02365474
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 | ![]() |
BDB![]() | A,B | 1KE3 | 0.74 | ![]() | |
MAJ![]() | indane-5-sulfonamide | A | 2QOA | 0.73 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.71 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.76 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.79 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.79 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | I | 1QUR | 0.85 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | E,I | 1PPC | 0.85 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | H | 1ETS | 0.85 | ![]() |
DEN![]() | INDENE | A | 183L | 0.72 | ![]() |
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 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.79 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.79 | ![]() |
BPS![]() | A,B | 2DE4 | 0.76 | ![]() | |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 0.86 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.73 | ![]() |
TLD![]() | 4-methylbenzene-1,2-dithiol | A | 2Z94 | 0.8 | ![]() |
BIH![]() | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.86 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.71 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.73 | ![]() |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.71 | ![]() |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.71 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.71 | ![]() |
NTS![]() | NAPHTHALENE TRISULFONATE | A | 1RML | 0.83 | ![]() |