Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00745826
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 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.72 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | |
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 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.71 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.78 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.72 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.74 | |
C17 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.72 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.78 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.73 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.71 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.71 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.81 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.81 | |
D1L | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | A,B | 1UYR | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.73 | |
TCL | TRICLOSAN | A,B,C,D | 2PD3 | 0.73 | |
TCL | TRICLOSAN | A,B | 1P45 | 0.73 | |
TCL | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.73 | |
TCL | TRICLOSAN | A,B | 1D8A | 0.73 | |
TCL | TRICLOSAN | A,B | 1C14 | 0.73 | |
TCL | TRICLOSAN | A,B,C,D | 2QIO | 0.73 | |
TCL | TRICLOSAN | A,B | 1NHG | 0.73 | |
TCL | TRICLOSAN | A | 1D7O | 0.73 | |
TCL | TRICLOSAN | A,B,C,D | 2O2Y | 0.73 | |
TCL | TRICLOSAN | A,B | 1UH5 | 0.73 | |
TCL | TRICLOSAN | A,B | 2O2S | 0.73 | |
TCL | TRICLOSAN | A,B,C,D | 1QG6 | 0.73 | |
TCL | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.73 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.7 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.7 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.73 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.73 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.72 |