Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01744714
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 |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.71 | ![]() |
DHR![]() | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.75 | ![]() |
M07![]() | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)- 3-(4-METHOXYPHENYL)-1,6-DIOXA-2- AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL | A | 2QRG | 0.71 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.71 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | ![]() |
TF5![]() | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.74 | ![]() |
458![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.8 | ![]() |
DR6![]() | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.76 | ![]() |
PFI![]() | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.73 | ![]() |
JT6![]() | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.73 | ![]() |
TXF![]() | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.71 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.75 | ![]() |
JJ3![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.75 | ![]() |
TAX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.71 | ![]() |
369![]() | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.7 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.71 | ![]() |
689![]() | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.8 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.72 | ![]() |
OHT![]() | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.72 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | ![]() |
OXN![]() | OXTOXYNOL-10 | A | 1IKT | 0.77 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2Q32 | 0.77 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 1UEH | 0.77 | ![]() |
OXN![]() | OXTOXYNOL-10 | A,B | 2D4Q | 0.77 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.73 | ![]() |
H53![]() | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 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 | 0.77 | ![]() |
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 | 0.77 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | ![]() |
I0G![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.77 | ![]() |
I0G![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.77 | ![]() |
T3O![]() | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.79 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.77 | ![]() |
505![]() | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.74 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.72 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.73 | ![]() |
PO1![]() | (9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE | A | 2GD8 | 0.71 | ![]() |
WST![]() | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.77 | ![]() |
RFX![]() | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.71 | ![]() |
459![]() | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.8 | ![]() |
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 | 0.77 | ![]() |
SFX![]() | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.71 | ![]() |
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 | 0.73 | ![]() |
DC8![]() | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.74 | ![]() |
DC8![]() | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.74 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.81 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.81 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.72 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.71 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.79 | ![]() |
CTX![]() | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.74 | ![]() |
CTF![]() | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.74 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.71 | ![]() |
CM4![]() | (2R,3R,4S)-3-(4-HYDROXYPHENYL)- 4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN- 6-OL | A | 1YIM | 0.71 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.73 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.76 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.76 | ![]() |