Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03002841
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 |
I4B | ISOBUTYLBENZENE | A | 184L | 0.72 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.74 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.7 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.71 | |
MBN | TOLUENE | A,B | 3D7O | 0.74 | |
MBN | TOLUENE | A,B | 1R1X | 0.74 | |
MBN | TOLUENE | A,B | 1JLX | 0.74 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.74 | |
MBN | TOLUENE | A,B | 2VRL | 0.74 | |
MBN | TOLUENE | A,I | 2Z3E | 0.74 | |
MBN | TOLUENE | A,B | 1YZI | 0.74 | |
MBN | TOLUENE | A,B | 2DN1 | 0.74 | |
MBN | TOLUENE | A,B | 3EN1 | 0.74 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.72 | |
OXE | ORTHO-XYLENE | A | 188L | 0.72 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.77 | |
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 | |
260 | 2-(bromomethyl)-1,3-difluorobenzene | X | 2RB0 | 0.73 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.72 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.72 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.73 | |
BDB | A,B | 1KE3 | 0.71 | ||
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.73 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.71 |