Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03516802
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 |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.87 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.73 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.81 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.81 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.77 | |
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 | 0.73 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.74 | |
VXX | VANILLATE | A,B | 1WB6 | 0.78 | |
CTF | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.85 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.85 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.87 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.87 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.72 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.72 | |
CIO | CILOMILAST | A,B | 1XOM | 0.77 | |
CIO | CILOMILAST | A,B | 1XLX | 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,B | 1JP3 | 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 | 2W22 | 0.72 | |
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 | 0.7 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.71 | |
261 | 2-ethoxyphenol | X | 2RB1 | 0.74 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.7 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.72 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.78 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.77 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.77 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.77 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.76 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.78 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.78 | |
HC4 | A | 1TS6 | 0.71 | ||
HC4 | A | 3PHY | 0.71 | ||
HC4 | A | 3PYP | 0.71 | ||
HC4 | A | 1T1C | 0.71 | ||
HC4 | A | 1OT6 | 0.71 | ||
HC4 | A | 1TS0 | 0.71 | ||
HC4 | A | 1T1A | 0.71 | ||
HC4 | A | 2PYP | 0.71 | ||
HC4 | A | 2ZOI | 0.71 | ||
HC4 | A | 1OTI | 0.71 | ||
HC4 | A | 1XFQ | 0.71 | ||
HC4 | A | 2D01 | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.71 | ||
HC4 | A | 2ZOH | 0.71 | ||
HC4 | A | 1GSW | 0.71 | ||
HC4 | A | 2QJ7 | 0.71 | ||
HC4 | A | 1F9I | 0.71 | ||
HC4 | X | 1UWP | 0.71 | ||
HC4 | A | 2PHY | 0.71 | ||
HC4 | A | 1T1B | 0.71 | ||
HC4 | A | 1F98 | 0.71 | ||
HC4 | A | 1T19 | 0.71 | ||
HC4 | X | 1UWN | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.71 | ||
HC4 | A | 1UGU | 0.71 | ||
HC4 | A | 1TS8 | 0.71 | ||
HC4 | A,B | 1OTD | 0.71 | ||
HC4 | A | 1OTE | 0.71 | ||
HC4 | A | 1GSX | 0.71 | ||
HC4 | A | 1TS7 | 0.71 | ||
HC4 | A | 2PYR | 0.71 | ||
HC4 | A | 1S4S | 0.71 | ||
HC4 | A | 1GSV | 0.71 | ||
HC4 | A | 2I9V | 0.71 | ||
HC4 | A | 2QWS | 0.71 | ||
HC4 | A | 1XFN | 0.71 | ||
HC4 | A | 1S4R | 0.71 | ||
HC4 | A | 1T18 | 0.71 | ||
HC4 | A | 1OTA | 0.71 | ||
HC4 | A | 1D7E | 0.71 | ||
HC4 | A | 1S1Z | 0.71 | ||
HC4 | A,B,C | 1MZU | 0.71 | ||
HC4 | A,B | 1ODV | 0.71 | ||
HC4 | A,B | 2J3J | 0.71 | ||
HC4 | A | 2QJ5 | 0.71 | ||
HC4 | A | 1OTB | 0.71 | ||
HC4 | A | 2D02 | 0.71 | ||
HC4 | A | 1OT9 | 0.71 | ||
HC4 | A | 1NWZ | 0.71 | ||
HC4 | A | 1S1Y | 0.71 | ||
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 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 | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.76 | |
DHC | CAFFEIC ACID | A | 1KOU | 0.76 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.82 | |
ESM | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.74 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 1EZV | 0.71 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1P84 | 0.71 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | C,D,E | 2IBZ | 0.71 | |
UQ6 | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL | A,C,D,E | 1KB9 | 0.71 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.77 | |
EMF | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.77 | |
MAX | MATAIRESINOL | A | 2BGM | 0.74 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.71 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.75 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.78 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.7 | |
MCT | 4-METHYLCATECHOL | A | 1L4G | 0.75 | |
MCT | 4-METHYLCATECHOL | A | 2EHZ | 0.75 | |
MCT | 4-METHYLCATECHOL | A,B | 1DMH | 0.75 |