Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02690484
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 |
MAJ | indane-5-sulfonamide | A | 2QOA | 0.75 | |
PVS | (ethenylsulfonyl)benzene | A | 3BLU | 0.73 | |
NAS | 2-NAPHTHALENESULFONIC ACID | I | 1QUR | 0.78 | |
NAS | 2-NAPHTHALENESULFONIC ACID | E,I | 1PPC | 0.78 | |
NAS | 2-NAPHTHALENESULFONIC ACID | H | 1ETS | 0.78 | |
TLD | 4-methylbenzene-1,2-dithiol | A | 2Z94 | 0.73 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.73 | |
OXE | ORTHO-XYLENE | A | 188L | 0.73 | |
BPS | A,B | 2DE4 | 0.8 | ||
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.71 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.76 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.76 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.71 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.75 | |
B69 | A | 2ZCR | 0.71 | ||
NPY | NAPHTHALENE | A,B | 1O7G | 0.72 | |
NTS | NAPHTHALENE TRISULFONATE | A | 1RML | 0.75 | |
BDB | A,B | 1KE3 | 0.72 | ||
PCB | 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'- TETRACHLOROBIPHENYL | A | 1UTR | 0.72 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.7 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.77 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.77 | |
SML | PHENYL METHYL SULFONE | A,I | 1D6W | 0.74 | |
SML | PHENYL METHYL SULFONE | A,I | 1D9I | 0.74 | |
BIH | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.77 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.73 | |
PYL | PHENYLETHANE | C | 1B07 | 0.7 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.7 | |
PYL | PHENYLETHANE | A | 1NHB | 0.7 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.77 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.77 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.77 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.77 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.77 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.7 |