Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01505858
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 |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.79 | |
PDZ | 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin- 3(2H)-one | A | 3DI6 | 0.71 | |
YZ9 | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.71 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.74 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.71 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.74 | |
CFA | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.75 | |
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 | 0.7 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.7 | |
C17 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.77 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | |
COU | COUMARIN | A | 3CRB | 0.79 | |
COU | COUMARIN | A | 2PMJ | 0.79 | |
COU | COUMARIN | A | 2H90 | 0.79 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.79 | |
COU | COUMARIN | A | 2PWB | 0.79 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.81 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.76 | |
D1L | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | A,B | 1UYR | 0.75 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.71 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.71 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.7 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.74 | |
FLN | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.7 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.72 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.7 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.7 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.75 | |
EAA | ETHACRYNIC ACID | A,B | 11GS | 0.75 | |
EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.75 | |
EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.75 | |
EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.75 | |
EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.75 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.75 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.72 | |
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 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.73 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.74 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.74 | |
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.75 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.74 | |
L1O | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid | A | 2VIO | 0.71 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.71 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.83 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.83 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.78 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.78 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.7 |