Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00110003
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 | 0.76 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.84 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.84 | ![]() |
Y13![]() | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.72 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.76 | ![]() |
HC4![]() | A | 1TS6 | 0.7 | ![]() | |
HC4![]() | A | 3PHY | 0.7 | ![]() | |
HC4![]() | A | 3PYP | 0.7 | ![]() | |
HC4![]() | A | 1T1C | 0.7 | ![]() | |
HC4![]() | A | 1OT6 | 0.7 | ![]() | |
HC4![]() | A | 1TS0 | 0.7 | ![]() | |
HC4![]() | A | 1T1A | 0.7 | ![]() | |
HC4![]() | A | 2PYP | 0.7 | ![]() | |
HC4![]() | A | 2ZOI | 0.7 | ![]() | |
HC4![]() | A | 1OTI | 0.7 | ![]() | |
HC4![]() | A | 1XFQ | 0.7 | ![]() | |
HC4![]() | A | 2D01 | 0.7 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7B | 0.7 | ![]() | |
HC4![]() | A | 2ZOH | 0.7 | ![]() | |
HC4![]() | A | 1GSW | 0.7 | ![]() | |
HC4![]() | A | 2QJ7 | 0.7 | ![]() | |
HC4![]() | A | 1F9I | 0.7 | ![]() | |
HC4![]() | X | 1UWP | 0.7 | ![]() | |
HC4![]() | A | 2PHY | 0.7 | ![]() | |
HC4![]() | A | 1T1B | 0.7 | ![]() | |
HC4![]() | A | 1F98 | 0.7 | ![]() | |
HC4![]() | A | 1T19 | 0.7 | ![]() | |
HC4![]() | X | 1UWN | 0.7 | ![]() | |
HC4![]() | A,B,C,D,E,F, G,H | 2O7F | 0.7 | ![]() | |
HC4![]() | A | 1UGU | 0.7 | ![]() | |
HC4![]() | A | 1TS8 | 0.7 | ![]() | |
HC4![]() | A,B | 1OTD | 0.7 | ![]() | |
HC4![]() | A | 1OTE | 0.7 | ![]() | |
HC4![]() | A | 1GSX | 0.7 | ![]() | |
HC4![]() | A | 1TS7 | 0.7 | ![]() | |
HC4![]() | A | 2PYR | 0.7 | ![]() | |
HC4![]() | A | 1S4S | 0.7 | ![]() | |
HC4![]() | A | 1GSV | 0.7 | ![]() | |
HC4![]() | A | 2I9V | 0.7 | ![]() | |
HC4![]() | A | 2QWS | 0.7 | ![]() | |
HC4![]() | A | 1XFN | 0.7 | ![]() | |
HC4![]() | A | 1S4R | 0.7 | ![]() | |
HC4![]() | A | 1T18 | 0.7 | ![]() | |
HC4![]() | A | 1OTA | 0.7 | ![]() | |
HC4![]() | A | 1D7E | 0.7 | ![]() | |
HC4![]() | A | 1S1Z | 0.7 | ![]() | |
HC4![]() | A,B,C | 1MZU | 0.7 | ![]() | |
HC4![]() | A,B | 1ODV | 0.7 | ![]() | |
HC4![]() | A,B | 2J3J | 0.7 | ![]() | |
HC4![]() | A | 2QJ5 | 0.7 | ![]() | |
HC4![]() | A | 1OTB | 0.7 | ![]() | |
HC4![]() | A | 2D02 | 0.7 | ![]() | |
HC4![]() | A | 1OT9 | 0.7 | ![]() | |
HC4![]() | A | 1NWZ | 0.7 | ![]() | |
HC4![]() | A | 1S1Y | 0.7 | ![]() | |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.71 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2A3R | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A | 5PAH | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2QMZ | 0.72 | ![]() |
LDP![]() | L-DOPAMINE | A,B | 2VQ5 | 0.72 | ![]() |
FIL![]() | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.7 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.76 | ![]() |
F16![]() | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)- ONE 1,1-DIOXIDE | A | 2CM8 | 0.7 | ![]() |
8CM![]() | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.76 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.8 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.8 | ![]() |
PZM![]() | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.71 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | ![]() |
3AC![]() | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE | A | 2B5J | 0.74 | ![]() |
SGI![]() | 3-(4-hydroxyphenyl)propanamide | A,B | 2R9K | 0.71 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.74 | ![]() |
JT6![]() | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.72 | ![]() |
DHC![]() | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.75 | ![]() |
DHC![]() | CAFFEIC ACID | A | 1KOU | 0.75 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.73 | ![]() |
HFL![]() | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.75 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.72 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.76 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.75 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.75 | ![]() |
BYM![]() | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL- 5-YL)METHYLENE]-1,3-THIAZOLIDINE- 2,4-DIONE | A | 2A4Z | 0.71 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.75 | ![]() |
ZAR![]() | 6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE | A,B | 1XOR | 0.74 | ![]() |
ZAR![]() | 6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE | A,B,C,D,E,F, G,H,I,J,K,L | 1MKD | 0.74 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.85 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 1L4G | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A | 2EHZ | 0.74 | ![]() |
MCT![]() | 4-METHYLCATECHOL | A,B | 1DMH | 0.74 | ![]() |
SYR![]() | SYRINGATE | A,B | 1WB5 | 0.74 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.76 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.76 | ![]() |
DB1![]() | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.71 | ![]() |
MBD![]() | 3-METHYLCATECHOL | A | 1KNF | 0.71 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.76 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.71 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.7 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.85 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.85 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.8 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.7 | ![]() |
MR1![]() | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.71 | ![]() |