Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03486917
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 |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.7 | |
NOA | NAPHTHYLOXYACETIC ACID | A,B,I | 1HIV | 0.76 | |
NOA | NAPHTHYLOXYACETIC ACID | I | 1IVP | 0.76 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.77 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.77 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.71 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.77 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.72 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.72 | |
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 | |
YZ9 | 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER | A,B,C | 1GCZ | 0.76 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.75 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.76 | |
T4A | C,D | 1KGI | 0.71 | ||
T4A | A,B | 1Z7J | 0.71 | ||
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.78 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.71 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.71 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.71 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.74 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.8 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.8 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.84 | |
HOM | 7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN | C,D | 1CJF | 0.74 | |
34C | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID | A,B | 1HT8 | 0.71 | |
BRZ | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.72 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.9 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.77 | |
SN1 | 2,4-DIHYDROXY-TRANS CINNAMIC ACID | 1 | 1K2I | 0.71 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.78 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.78 | |
2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.76 | |
2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.76 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.72 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.73 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.83 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.77 | |
G24 | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID | A | 1Q4X | 0.77 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.9 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.9 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.81 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.75 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.76 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.76 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.76 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.76 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.76 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.76 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.8 | |
HC4 | A | 1TS6 | 0.75 | ||
HC4 | A | 3PHY | 0.75 | ||
HC4 | A | 3PYP | 0.75 | ||
HC4 | A | 1T1C | 0.75 | ||
HC4 | A | 1OT6 | 0.75 | ||
HC4 | A | 1TS0 | 0.75 | ||
HC4 | A | 1T1A | 0.75 | ||
HC4 | A | 2PYP | 0.75 | ||
HC4 | A | 2ZOI | 0.75 | ||
HC4 | A | 1OTI | 0.75 | ||
HC4 | A | 1XFQ | 0.75 | ||
HC4 | A | 2D01 | 0.75 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.75 | ||
HC4 | A | 2ZOH | 0.75 | ||
HC4 | A | 1GSW | 0.75 | ||
HC4 | A | 2QJ7 | 0.75 | ||
HC4 | A | 1F9I | 0.75 | ||
HC4 | X | 1UWP | 0.75 | ||
HC4 | A | 2PHY | 0.75 | ||
HC4 | A | 1T1B | 0.75 | ||
HC4 | A | 1F98 | 0.75 | ||
HC4 | A | 1T19 | 0.75 | ||
HC4 | X | 1UWN | 0.75 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.75 | ||
HC4 | A | 1UGU | 0.75 | ||
HC4 | A | 1TS8 | 0.75 | ||
HC4 | A,B | 1OTD | 0.75 | ||
HC4 | A | 1OTE | 0.75 | ||
HC4 | A | 1GSX | 0.75 | ||
HC4 | A | 1TS7 | 0.75 | ||
HC4 | A | 2PYR | 0.75 | ||
HC4 | A | 1S4S | 0.75 | ||
HC4 | A | 1GSV | 0.75 | ||
HC4 | A | 2I9V | 0.75 | ||
HC4 | A | 2QWS | 0.75 | ||
HC4 | A | 1XFN | 0.75 | ||
HC4 | A | 1S4R | 0.75 | ||
HC4 | A | 1T18 | 0.75 | ||
HC4 | A | 1OTA | 0.75 | ||
HC4 | A | 1D7E | 0.75 | ||
HC4 | A | 1S1Z | 0.75 | ||
HC4 | A,B,C | 1MZU | 0.75 | ||
HC4 | A,B | 1ODV | 0.75 | ||
HC4 | A,B | 2J3J | 0.75 | ||
HC4 | A | 2QJ5 | 0.75 | ||
HC4 | A | 1OTB | 0.75 | ||
HC4 | A | 2D02 | 0.75 | ||
HC4 | A | 1OT9 | 0.75 | ||
HC4 | A | 1NWZ | 0.75 | ||
HC4 | A | 1S1Y | 0.75 | ||
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.81 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.77 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.74 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.76 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.76 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.76 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.76 | |
VXX | VANILLATE | A,B | 1WB6 | 0.79 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.83 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.82 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.82 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.78 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.78 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.78 | |
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 | 0.78 | |
MAX | MATAIRESINOL | A | 2BGM | 0.77 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.79 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.79 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.75 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.7 | |
3AC | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE | A | 2B5J | 0.71 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.71 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.71 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.73 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.76 | |
CIO | CILOMILAST | A,B | 1XOM | 0.8 | |
CIO | CILOMILAST | A,B | 1XLX | 0.8 | |
3A3 | A | 2CGU | 0.74 | ||
4HC | 4-HYDROXY-2H-CHROMEN-2-ONE | A,B | 1V5Y | 0.77 | |
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 | 0.76 | |
COU | COUMARIN | A | 3CRB | 0.77 | |
COU | COUMARIN | A | 2PMJ | 0.77 | |
COU | COUMARIN | A | 2H90 | 0.77 | |
COU | COUMARIN | A,B,C,D | 1Z10 | 0.77 | |
COU | COUMARIN | A | 2PWB | 0.77 | |
BYS | 2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID | A,B | 1JJE | 0.71 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.71 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.72 | |
PFI | (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE | A | 2HAI | 0.76 | |
4MU | 7-hydroxy-4-methyl-2H-chromen-2- one | A,B | 3ETS | 0.75 | |
MUG | 4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE | A,B,C,D | 1CJP | 0.71 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 0.75 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.8 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.71 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A | 2OPA | 0.73 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B,C | 1MFI | 0.73 | |
FHC | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE | A,B | 1GYY | 0.73 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.72 | |
LRG | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.72 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.75 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.77 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIT | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ1 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PIU | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2PKL | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 3D57 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ2 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 2QPY | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NQ0 | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A | 1NUO | 0.72 | |
4HY | [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID | A,B | 2PIN | 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 | 0.76 | |
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 | 0.76 |