Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02945922
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 |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.73 |  |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.74 | |
| I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.74 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.77 | |
| TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.77 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.74 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.75 | |
VIT | VITAMIN E | A,B | 1KPM | 0.71 | |
| VIT | VITAMIN E | A,B | 3CXI | 0.71 | |
| VIT | VITAMIN E | A,B | 3CYL | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.76 | |
CTF | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.71 | |
CIO | CILOMILAST | A,B | 1XOM | 0.73 | |
| CIO | CILOMILAST | A,B | 1XLX | 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,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 | |
B76 | A,B | 2E9D | 0.73 | | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.73 | |
| JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.73 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.73 | |
3AS | (3aS,4R,9bR)-2,2-difluoro-4-(4- hydroxyphenyl)-6-(methoxymethyl)- 1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen- 8-ol | A,B | 2QTU | 0.71 | |
SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 1EAH | 0.73 | |
| SC4 | 1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE | 1,4 | 3EPF | 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 | |
2NI | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.77 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.73 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.74 | |
| OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.74 | |
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 | 0.72 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | |
JT6 | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.8 | |
3AC | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE | A | 2B5J | 0.71 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.72 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.72 | |
| NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.72 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.71 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.75 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.71 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.75 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.71 | |
VIV | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)- 4,8,12-TRIMETHYLTRIDECYL]CHROMAN- 6-OL | A | 1R5L | 0.71 | |
| VIV | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)- 4,8,12-TRIMETHYLTRIDECYL]CHROMAN- 6-OL | A | 1OIP | 0.71 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.72 | |
| DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 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 | 0.75 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.73 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.74 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.73 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.76 | |