Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02493397
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 |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.84 | |
FIB | 1,2,3,4,5-pentafluoro-6-iodobenzene | A | 3DN8 | 0.71 | |
PA0 | Phenylarsine oxide | A | 3E3Z | 0.94 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | B | 1BH9 | 0.71 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | H | 1HDK | 0.71 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A | 1HJ1 | 0.71 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A,B,C,D | 1YP2 | 0.71 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A | 1XZC | 0.71 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.72 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.74 | |
BNS | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.76 | |
BNS | HYDROSULFONYLBENZENE | A | 1MEM | 0.76 | |
BNS | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.76 | |
BNS | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.76 | |
MBN | TOLUENE | A,B | 3D7O | 0.77 | |
MBN | TOLUENE | A,B | 1R1X | 0.77 | |
MBN | TOLUENE | A,B | 1JLX | 0.77 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.77 | |
MBN | TOLUENE | A,B | 2VRL | 0.77 | |
MBN | TOLUENE | A,I | 2Z3E | 0.77 | |
MBN | TOLUENE | A,B | 1YZI | 0.77 | |
MBN | TOLUENE | A,B | 2DN1 | 0.77 | |
MBN | TOLUENE | A,B | 3EN1 | 0.77 | |
IBF | 1,2,3,4,5-pentafluoro-6-iodobenzene | A | 3DN3 | 0.71 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.77 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.72 | |
OXE | ORTHO-XYLENE | A | 188L | 0.72 | |
BT6 | benzenethiol | A,B,C,D | 3HSR | 0.8 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
PIH | IODOPHENYL | A | 1UO5 | 0.98 | |
PIH | IODOPHENYL | A | 3DNA | 0.98 | |
PIH | IODOPHENYL | A | 1F9O | 0.98 | |
PIH | IODOPHENYL | A,B | 1UO4 | 0.98 | |
PIH | IODOPHENYL | A | 3DN4 | 0.98 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.74 | |
PYL | PHENYLETHANE | C | 1B07 | 0.74 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.74 | |
PYL | PHENYLETHANE | A | 1NHB | 0.74 | |
BNZ | BENZENE | A | 1L83 | 0.91 | |
BNZ | BENZENE | A | 1CP4 | 0.91 | |
BNZ | BENZENE | A,B,C,D | 1XXJ | 0.91 | |
BNZ | BENZENE | B | 1SWI | 0.91 | |
BNZ | BENZENE | A | 181L | 0.91 | |
BNZ | BENZENE | A | 223L | 0.91 | |
BNZ | BENZENE | A | 3DMX | 0.91 | |
BNZ | BENZENE | A | 2Z9G | 0.91 | |
BNZ | BENZENE | A | 220L | 0.91 | |
BNZ | BENZENE | A | 227L | 0.91 | |
BNZ | BENZENE | A,B | 1A7Z | 0.91 | |
BNZ | BENZENE | A | 1L84 | 0.91 | |
TCZ | 1,3,5-TRICHLORO-BENZENE | A,B,C,D | 1J51 | 0.71 | |
118 | TETRAPHENYLANTIMONIUM ION | A | 1EXI | 0.72 | |
PHG | PHENYLMERCURY | A | 1CZS | 0.91 | |
YAN | 1,2-DICHLOROBENZENE | X | 2OTY | 0.72 | |
PBC | PHENYL BORONIC ACID | A | 2A32 | 0.9 | |
PBC | PHENYL BORONIC ACID | A | 1JU3 | 0.9 | |
F5B | 1,2,3,4,5-pentafluorobenzene | A | 3DN0 | 0.77 | |
TTA | TETRAPHENYL-ARSONIUM | A | 1HYV | 0.72 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.75 |