Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03196678
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 |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.78 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.78 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.75 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.75 | |
WST | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 9-OL | A,B | 2POG | 0.73 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
TL3 | 2,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5B | 0.72 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.84 | |
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 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.74 | |
MAX | MATAIRESINOL | A | 2BGM | 0.71 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2I0G | 0.73 | |
I0G | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B,C,D | 2I0J | 0.73 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.78 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.7 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.72 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.72 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.8 | |
CIO | CILOMILAST | A,B | 1XOM | 0.72 | |
CIO | CILOMILAST | A,B | 1XLX | 0.72 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.73 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.75 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.71 | |
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 | |
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 | 0.83 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.8 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.76 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.76 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.72 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.72 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.73 | |
SAG | (S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE] | A,B | 2V5Z | 0.75 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.7 | |
2NI | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.8 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Q70 | 0.71 | |
DC8 | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4- HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL | A,B | 2Z4B | 0.71 | |
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 | 0.72 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A,B | 1I7I | 0.74 | |
AZ2 | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | A | 1I7G | 0.74 | |
TL2 | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5A | 0.7 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.79 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.73 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.71 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.72 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.76 | |
ECO | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.72 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.79 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.79 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.75 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.82 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.77 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.81 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.81 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.81 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.81 | |
TL1 | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y59 | 0.7 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.78 | |
IKR | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.76 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.76 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.76 | |
3A3 | A | 2CGU | 0.84 | ||
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.74 | |
HDI | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER | A,B,C | 1LJT | 0.7 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.71 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.71 | |
YRG | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.7 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.73 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.73 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.73 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.75 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.75 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.75 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.75 | |
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 | 0.7 | |
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 | 0.81 | |
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 | 0.81 | |
RNP | (1E,2R)-1-(ISOPROPYLIMINO)-3-(1- NAPHTHYLOXY)PROPAN-2-OL | X | 1H46 | 0.8 | |
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 | 0.84 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2JJ3 | 0.71 | |
JJ3 | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)- 6-(METHOXYMETHYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8- OL | A,B | 2QE4 | 0.71 | |
TL4 | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5U | 0.7 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.75 | |
B76 | A,B | 2E9D | 0.76 | ||
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.8 | |
55E | 4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one | A | 3DCV | 0.72 |