Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00082121
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 |
JT6 | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.75 | |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.74 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.78 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.79 | |
FER | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.79 | |
3AC | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE | A | 2B5J | 0.78 | |
CTF | (17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate | A | 3BET | 0.71 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | |
8CM | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.71 | |
4FE | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.79 | |
BYM | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL- 5-YL)METHYLENE]-1,3-THIAZOLIDINE- 2,4-DIONE | A | 2A4Z | 0.74 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.74 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.73 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.8 | |
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 | |
SXX | SINAPINATE | A,B | 1WB4 | 0.75 | |
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.75 | |
5PP | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.7 | |
8PS | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.7 | |
VXX | VANILLATE | A,B | 1WB6 | 0.71 | |
ZAR | 6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE | A,B | 1XOR | 0.78 | |
ZAR | 6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE | A,B,C,D,E,F, G,H,I,J,K,L | 1MKD | 0.78 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.75 | |
300 | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.72 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.75 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.75 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.76 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.75 | |
FX3 | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.7 | |
CIO | CILOMILAST | A,B | 1XOM | 0.71 | |
CIO | CILOMILAST | A,B | 1XLX | 0.71 |