Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02498202
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 |
268![]() | 2-phenoxyethanol | A | 2RBR | 0.78 | ![]() |
D1L![]() | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | A,B | 1UYR | 0.72 | ![]() |
DCN![]() | DICLOSAN | A,B,C,D | 2PD4 | 0.73 | ![]() |
YZ9![]() | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.71 | ![]() |
2C2![]() | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.83 | ![]() |
2C2![]() | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.83 | ![]() |
FOA![]() | 2-FUROIC ACID | A,B | 2GF3 | 0.73 | ![]() |
FOA![]() | 2-FUROIC ACID | A,B,D | 2GAG | 0.73 | ![]() |
FOA![]() | 2-FUROIC ACID | A,B,C,D | 2GAH | 0.73 | ![]() |
HOM![]() | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.7 | ![]() |
CFA![]() | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.75 | ![]() |
4HC![]() | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.8 | ![]() |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.71 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | ![]() |
8CM![]() | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.83 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.73 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.77 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.77 | ![]() |
KOM![]() | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.75 | ![]() |
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 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.79 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.7 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2PD3 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1P45 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1D8A | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1C14 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2QIO | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1NHG | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A | 1D7O | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 2O2Y | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 1UH5 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B | 2O2S | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D | 1QG6 | 0.7 | ![]() |
TCL![]() | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.7 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.77 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.75 | ![]() |
NOA![]() | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.75 | ![]() |
4MU![]() | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.73 | ![]() |
G24![]() | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.71 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.71 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.71 | ![]() |
COU![]() | COUMARIN | A | 3CRB | 0.78 | ![]() |
COU![]() | COUMARIN | A | 2PMJ | 0.78 | ![]() |
COU![]() | COUMARIN | A | 2H90 | 0.78 | ![]() |
COU![]() | COUMARIN | A,B,C,D | 1Z10 | 0.78 | ![]() |
COU![]() | COUMARIN | A | 2PWB | 0.78 | ![]() |