Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458666
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 |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.76 |  |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.7 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.77 | |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.77 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.72 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.75 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.72 | |
| AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.72 | |
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 | 0.73 | |
| 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 | 0.73 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.72 | |
| SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 0.72 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.72 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.72 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.73 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.73 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.73 | |
| OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.73 | |
| OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.73 | |
| OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.73 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | |
STH | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL | A,B,C,D | 1XKL | 0.73 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.78 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | |
| DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | |
| DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | |
| DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.71 | |
440 | 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane- 1-thiol | A | 3B92 | 0.71 | |
MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.71 | |
| MSB | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.71 | |
B65 | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane- 1-sulfonic acid | A | 2ZCQ | 0.81 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.72 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.71 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.71 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | |
EIN | A | 1ZS0 | 0.72 | | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.72 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.81 | |
FIN | A | 1ZVX | 0.72 | | |
COU | COUMARIN | A | 3CRB | 0.72 | |
| COU | COUMARIN | A | 2PMJ | 0.72 | |
| COU | COUMARIN | A | 2H90 | 0.72 | |
| COU | COUMARIN | A,B,C,D | 1Z10 | 0.72 | |
| COU | COUMARIN | A | 2PWB | 0.72 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.7 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.73 | |
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 | 0.74 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.75 | |
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 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.75 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.76 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.74 | |
B76 | A,B | 2E9D | 0.76 | |