Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02220966
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 |
TLD | 4-methylbenzene-1,2-dithiol | A | 2Z94 | 0.75 | |
FBS | 4-FLOUROBENZENESULFONAMIDE | A | 1IF4 | 0.76 | |
PA0 | Phenylarsine oxide | A | 3E3Z | 0.79 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.76 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.76 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.7 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.7 | |
PVS | (ethenylsulfonyl)benzene | A | 3BLU | 0.78 | |
FBT | 2,6-DIFLUOROBENZENESULFONAMIDE | A | 1IF5 | 0.74 | |
FBU | 3,5-DIFLUOROBENZENESULFONAMIDE | A | 1IF6 | 0.74 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | B | 1BH9 | 0.83 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | H | 1HDK | 0.83 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A | 1HJ1 | 0.83 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A,B,C,D | 1YP2 | 0.83 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A | 1XZC | 0.83 | |
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 | |
PBC | PHENYL BORONIC ACID | A | 2A32 | 0.76 | |
PBC | PHENYL BORONIC ACID | A | 1JU3 | 0.76 | |
BNZ | BENZENE | A | 1L83 | 0.77 | |
BNZ | BENZENE | A | 1CP4 | 0.77 | |
BNZ | BENZENE | A,B,C,D | 1XXJ | 0.77 | |
BNZ | BENZENE | B | 1SWI | 0.77 | |
BNZ | BENZENE | A | 181L | 0.77 | |
BNZ | BENZENE | A | 223L | 0.77 | |
BNZ | BENZENE | A | 3DMX | 0.77 | |
BNZ | BENZENE | A | 2Z9G | 0.77 | |
BNZ | BENZENE | A | 220L | 0.77 | |
BNZ | BENZENE | A | 227L | 0.77 | |
BNZ | BENZENE | A,B | 1A7Z | 0.77 | |
BNZ | BENZENE | A | 1L84 | 0.77 | |
BT6 | benzenethiol | A,B,C,D | 3HSR | 0.86 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D73 | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D77 | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D78 | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3CZ1 | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D75 | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D76 | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3BJH | 0.73 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D74 | 0.73 | |
PIH | IODOPHENYL | A | 1UO5 | 0.73 | |
PIH | IODOPHENYL | A | 3DNA | 0.73 | |
PIH | IODOPHENYL | A | 1F9O | 0.73 | |
PIH | IODOPHENYL | A,B | 1UO4 | 0.73 | |
PIH | IODOPHENYL | A | 3DN4 | 0.73 | |
PHG | PHENYLMERCURY | A | 1CZS | 0.77 | |
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 | |
BNS | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.85 | |
BNS | HYDROSULFONYLBENZENE | A | 1MEM | 0.85 | |
BNS | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.85 | |
BNS | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.85 | |
SML | PHENYL METHYL SULFONE | A,I | 1D6W | 0.82 | |
SML | PHENYL METHYL SULFONE | A,I | 1D9I | 0.82 |