Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02906291
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 |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.8 |  |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.73 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.73 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.71 | |
| NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.71 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.79 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.79 | |
| JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.79 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.73 | |
C17 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.75 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.78 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.78 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.76 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.79 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.73 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.71 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.71 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.73 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.7 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.7 | |
CFA | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.74 | |
5TN | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.72 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.77 | |
| FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.77 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.77 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.74 | |
| EAA | ETHACRYNIC ACID | A,B | 11GS | 0.74 | |
| EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.74 | |
| EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.74 | |
| EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.74 | |
| EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.74 | |
COU | COUMARIN | A | 3CRB | 0.73 | |
| COU | COUMARIN | A | 2PMJ | 0.73 | |
| COU | COUMARIN | A | 2H90 | 0.73 | |
| COU | COUMARIN | A,B,C,D | 1Z10 | 0.73 | |
| COU | COUMARIN | A | 2PWB | 0.73 | |
TCL | TRICLOSAN | A,B,C,D | 2PD3 | 0.72 | |
| TCL | TRICLOSAN | A,B | 1P45 | 0.72 | |
| TCL | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.72 | |
| TCL | TRICLOSAN | A,B | 1D8A | 0.72 | |
| TCL | TRICLOSAN | A,B | 1C14 | 0.72 | |
| TCL | TRICLOSAN | A,B,C,D | 2QIO | 0.72 | |
| TCL | TRICLOSAN | A,B | 1NHG | 0.72 | |
| TCL | TRICLOSAN | A | 1D7O | 0.72 | |
| TCL | TRICLOSAN | A,B,C,D | 2O2Y | 0.72 | |
| TCL | TRICLOSAN | A,B | 1UH5 | 0.72 | |
| TCL | TRICLOSAN | A,B | 2O2S | 0.72 | |
| TCL | TRICLOSAN | A,B,C,D | 1QG6 | 0.72 | |
| TCL | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.72 | |
D1L | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | A,B | 1UYR | 0.76 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.74 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.71 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.72 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.8 | |
| SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.8 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.74 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.77 | |
| IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.77 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.74 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.73 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.72 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.7 | |
| EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.7 | |
MAX | MATAIRESINOL | A | 2BGM | 0.73 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.71 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.72 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.74 | |
CIO | CILOMILAST | A,B | 1XOM | 0.71 | |
| CIO | CILOMILAST | A,B | 1XLX | 0.71 | |