JN3
CHENODEOXYCHOLIC ACID
Description
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 / 6
Atom labelled JN3
Physicochemical properties
Bound structures
Found as a bound ligand in 6 distinct proteins and 7 PDB Structures. Group data by:
Protein name
Fatty acid-binding protein, liver
PDB-KB Proteins
EC number
---
Ligand annotation
Unannotated
Total structures
2
Protein name
HTH tetR-type domain-containing protein
PDB-KB Proteins
EC number
---
Ligand annotation
Unannotated
Total structures
1
Protein name
Uncharacterized protein
PDB-KB Proteins
EC number
---
Ligand annotation
Unannotated
Total structures
1
Protein name
Conjugated bile acid hydrolase
PDB-KB Proteins
EC number
3.5.1.-, 3.5.1.24, 3.5.1.74
Ligand annotation
Unannotated
Total structures
2
Protein name
Bile acid receptor
PDB-KB Proteins
EC number
---
Ligand annotation
Drug-like
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 JN3 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 DOTF
DrugBank
DrugCentral
ClinicalTrials
PharmGKB
Probes And Drugs
Guide to Pharmacology
EPA CompTox Dashboard
Mcule
ZINC
MedChemExpress
Selleck
KEGG LIGAND
BindingDb
HMDB
MetaboLights
LipidMaps
NMRShiftDB
LINCS
fdasrs
Nikkaji
ChemicalBook