Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00575791
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 |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.76 |  |
| V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.76 | |
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 | 0.76 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.79 | |
IKR | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.7 | |
MAX | MATAIRESINOL | A | 2BGM | 0.76 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.76 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.77 | |
HDI | 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER | A,B,C | 1LJT | 0.76 | |
2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.71 | |
| 2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.71 | |
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 | |
MBD | 3-METHYLCATECHOL | A | 1KNF | 0.7 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.73 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.71 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.78 | |
| EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.78 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.76 | |
DHC | CAFFEIC ACID | A,B,C,D,E,F, G,H | 2O7D | 0.75 | |
| DHC | CAFFEIC ACID | A | 1KOU | 0.75 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.71 | |
DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.7 | |
| DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.7 | |
| DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.7 | |
| DHY | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.7 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.71 | |
VXX | VANILLATE | A,B | 1WB6 | 0.79 | |
IM3 | (2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID | A,B,C,D | 2E82 | 0.77 | |
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 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.76 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.72 | |
3A3 | A | 2CGU | 0.74 | | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.72 | |
ZAR | 6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE | A,B | 1XOR | 0.7 | |
| ZAR | 6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE | A,B,C,D,E,F, G,H,I,J,K,L | 1MKD | 0.7 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
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 | 0.71 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.85 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.79 | |
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 | |
DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3CMP | 0.7 | |
| DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MD9 | 0.7 | |
| DBH | 2,3-DIHYDROXY-BENZOIC ACID | A | 1MDB | 0.7 | |
| DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 1L6M | 0.7 | |
| DBH | 2,3-DIHYDROXY-BENZOIC ACID | A,B,C | 3BY0 | 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 | |
OX5 | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME | A,B,C | 2OOZ | 0.71 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.79 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.79 | |
KOM | 7,8-dihydroxy-4-phenyl-2H-chromen- 2-one | A | 2ZVJ | 0.72 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.7 | |
CIO | CILOMILAST | A,B | 1XOM | 0.71 | |
| CIO | CILOMILAST | A,B | 1XLX | 0.71 | |