Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00509437
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 |
FUX | 5-HYDROXYMETHYL-FURFURAL | A,B,C,D | 1QXE | 0.87 |  |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.73 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.84 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.71 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.85 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.74 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.74 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.71 | |
NRO | 3-[5-(2-nitropent-1-en-1-yl)furan- 2-yl]benzoic acid | A,B | 2ZK5 | 0.74 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | |
| MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | |
VXX | VANILLATE | A,B | 1WB6 | 0.74 | |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.83 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.78 | |
| ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.78 | |
CA2 | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.71 | |
A04 | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.81 | |
C1F | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC | A,B | 2BXA | 0.7 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.73 | |
AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.74 | |
| AIN | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.74 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.74 | |
FRR | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.71 | |
VII | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.71 | |
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.8 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.81 | |
2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IME | 0.7 | |
| 2C2 | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | A | 2IMD | 0.7 | |
EAA | ETHACRYNIC ACID | A,B | 3DGQ | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 11GS | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B,C,D | 1GSF | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 2GSS | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 3GSS | 0.7 | |
| EAA | ETHACRYNIC ACID | A,B | 1GSE | 0.7 | |
B23 | 5-(2-NITROPHENYL)-2-FUROIC ACID | A | 2Q92 | 0.7 | |
FU2 | FURFURAL | A,B,C,D | 1QXD | 0.77 | |
FOA | 2-FUROIC ACID | A,B | 2GF3 | 0.88 | |
| FOA | 2-FUROIC ACID | A,B,D | 2GAG | 0.88 | |
| FOA | 2-FUROIC ACID | A,B,C,D | 2GAH | 0.88 | |