Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052813
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 |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.7 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.7 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.72 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.75 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.73 | |
OXE | ORTHO-XYLENE | A | 188L | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.8 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.8 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.8 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.7 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.7 | |
PXY | PARA-XYLENE | A | 187L | 0.75 | |
PXY | PARA-XYLENE | A | 225L | 0.75 | |
MBN | TOLUENE | A,B | 3D7O | 0.75 | |
MBN | TOLUENE | A,B | 1R1X | 0.75 | |
MBN | TOLUENE | A,B | 1JLX | 0.75 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.75 | |
MBN | TOLUENE | A,B | 2VRL | 0.75 | |
MBN | TOLUENE | A,I | 2Z3E | 0.75 | |
MBN | TOLUENE | A,B | 1YZI | 0.75 | |
MBN | TOLUENE | A,B | 2DN1 | 0.75 | |
MBN | TOLUENE | A,B | 3EN1 | 0.75 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.72 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.77 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.78 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.72 | |
BDB | A,B | 1KE3 | 0.72 | ||
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.75 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.73 | |
PYL | PHENYLETHANE | C | 1B07 | 0.75 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.75 | |
PYL | PHENYLETHANE | A | 1NHB | 0.75 | |
260 | 2-(bromomethyl)-1,3-difluorobenzene | X | 2RB0 | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.72 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.75 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.72 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.71 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.78 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.78 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.78 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.72 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.72 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.72 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.71 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.71 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.73 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.84 |