Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00746060
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 |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.74 |  |
| EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.74 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.7 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.77 | |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.77 | |
TCL | TRICLOSAN | A,B,C,D | 2PD3 | 0.76 | |
| TCL | TRICLOSAN | A,B | 1P45 | 0.76 | |
| TCL | TRICLOSAN | A,B,C,D,E,F | 2B35 | 0.76 | |
| TCL | TRICLOSAN | A,B | 1D8A | 0.76 | |
| TCL | TRICLOSAN | A,B | 1C14 | 0.76 | |
| TCL | TRICLOSAN | A,B,C,D | 2QIO | 0.76 | |
| TCL | TRICLOSAN | A,B | 1NHG | 0.76 | |
| TCL | TRICLOSAN | A | 1D7O | 0.76 | |
| TCL | TRICLOSAN | A,B,C,D | 2O2Y | 0.76 | |
| TCL | TRICLOSAN | A,B | 1UH5 | 0.76 | |
| TCL | TRICLOSAN | A,B | 2O2S | 0.76 | |
| TCL | TRICLOSAN | A,B,C,D | 1QG6 | 0.76 | |
| TCL | TRICLOSAN | A,B,C,D,E,F, G,H | 1QSG | 0.76 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.7 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.73 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.73 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.71 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.79 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.72 | |
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 | 0.76 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.73 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.79 | |
B76 | A,B | 2E9D | 0.72 | | |
258 | (2-chloroethoxy)benzene | X | 2RAY | 0.72 | |
C17 | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.72 | |
JPL | 5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol | A | 3FNG | 0.81 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.77 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.74 | |
JPN | 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL | A,B | 2OL4 | 0.8 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.72 | |
JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A,B | 2OOS | 0.8 | |
| JPJ | 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL | A | 3FNH | 0.8 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.73 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.74 | |
| OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.74 | |
| OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.74 | |
| OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.74 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.79 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.71 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.75 | |
CFA | (2,4-DICHLOROPHENOXY)ACETIC ACID | B,E | 2P1N | 0.71 | |
TCT | 6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL | A,B | 1NNU | 0.79 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.72 | |
DCN | DICLOSAN | A,B,C,D | 2PD4 | 0.8 | |
D1L | 2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID | A,B | 1UYR | 0.71 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.72 | |
| NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.72 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.71 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.73 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAV | 0.72 | |
| IH5 | [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID | A | 1NAX | 0.72 | |
JPM | 5-benzyl-2-(2,4-dichlorophenoxy)phenol | A,B,C,D | 3FNF | 0.79 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.7 | |
JPA | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL- 3-OL | A,B | 2FOI | 0.79 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.76 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.73 | |
COU | COUMARIN | A | 3CRB | 0.7 | |
| COU | COUMARIN | A | 2PMJ | 0.7 | |
| COU | COUMARIN | A | 2H90 | 0.7 | |
| COU | COUMARIN | A,B,C,D | 1Z10 | 0.7 | |
| COU | COUMARIN | A | 2PWB | 0.7 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.82 | |
| SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.82 | |