Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02216661
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 |
A18 | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.76 |  |
FOA | 2-FUROIC ACID | A,B | 2GF3 | 0.84 | |
| FOA | 2-FUROIC ACID | A,B,D | 2GAG | 0.84 | |
| FOA | 2-FUROIC ACID | A,B,C,D | 2GAH | 0.84 | |
DFL | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.71 | |
FCD | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.74 | |
| ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.74 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.72 | |
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.73 | |
FC3 | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.77 | |
B21 | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.77 | |
FUX | 5-HYDROXYMETHYL-FURFURAL | A,B,C,D | 1QXE | 0.9 | |
DDC | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.7 | |
397 | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.72 | |
A04 | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.74 | |
DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.7 | |
| DH2 | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.7 | |
VXX | VANILLATE | A,B | 1WB6 | 0.71 | |
V55 | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.72 | |
| V55 | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.72 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.71 | |
| MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.71 | |
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 | |
BZF | BENZOFURAN | A | 182L | 0.72 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.73 | |
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 | 0.72 | |
FU2 | FURFURAL | A,B,C,D | 1QXD | 0.78 | |
VNL | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.71 | |
| VNL | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.71 | |
GRR | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.7 | |
DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.7 | |
| DQH | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.7 | |