Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02319299
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 |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.7 | |
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 | 0.73 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.7 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.71 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.73 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.89 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.77 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.77 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.72 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.72 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.79 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.79 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.7 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.77 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.83 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.83 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.83 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.7 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.7 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.72 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.7 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.7 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.72 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.73 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.71 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.7 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.75 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.73 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.73 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.74 | |
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 | 0.71 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.73 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.7 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.7 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.72 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.7 | |
FFD | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.71 | |
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 | 0.72 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.7 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.73 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.75 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.75 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.8 | |
BS1 | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.74 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.71 | |
T3O | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.73 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.71 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.75 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.75 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.87 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.83 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.7 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.73 | |
BR3 | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.71 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.76 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.73 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.78 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.75 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.72 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.72 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.74 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.82 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.82 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.71 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.73 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.72 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.72 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.72 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.72 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.73 |