DHB
3,4-DIHYDROXYBENZOIC ACID
Overall view, and highlighted
scaffolds and fragments This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
Displayed: 1 / 4
Atom labelled DHB
Physicochemical properties
Bound structures
Found as a bound ligand in 25 distinct proteins and 43 PDB Structures. Group data by:
Protein name
Protocatechuate 3,4-dioxygenase alpha chain
PDB-KB Proteins
EC number
1.13.11.3
Ligand annotation
Unannotated
Total structures
30
Protein name
Protocatechuate 3,4-dioxygenase beta chain
PDB-KB Proteins
EC number
1.13.11.3
Ligand annotation
Unannotated
Total structures
30
Protein name
Protocatechuate 3,4-dioxygenase beta chain
PDB-KB Proteins
EC number
1.13.11.3
Ligand annotation
Unannotated
Total structures
3
Protein name
4-hydroxythreonine-4-phosphate dehydrogenase
PDB-KB Proteins
EC number
1.1.1.262
Ligand annotation
Unannotated
Total structures
8
Protein name
Lysine-specific demethylase 4A
PDB-KB Proteins
EC number
1.14.11.66, 1.14.11.69
Ligand annotation
Unannotated
Total structures
1
Interaction statistics
Ligand atoms
Percentage of interactions by ligand atom compared to the total interactions of the ligand
Percentage of interactions between ligand atom-amino acid pair compared to the total interactions of the amino acid
Atom-wise interactions of DHB molecule Percentage of interactions by ligand atom compared to the total interactions of the ligand
Percentage of interactions by ligand atom compared to the total interactions of the ligand
Ligand-specific databases
ChEMBL
SureChEMBL
ChEBI
CCDC
PubChem
PubChem TPHARMA
DrugBank
Probes And Drugs
EPA CompTox Dashboard
Mcule
ZINC
MedChemExpress
KEGG LIGAND
BindingDb
HMDB
MetaboLights
NMRShiftDB
eMolecules
fdasrs
Nikkaji
ChemicalBook