TEP
THEOPHYLLINE
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 TEP
Physicochemical properties
Bound structures
Found as a bound ligand in 10 distinct proteins and 18 PDB Structures. Group data by:
Protein name
Soluble cytochrome b562
PDB-KB Proteins
EC number
---
Ligand annotation
Unannotated
Total structures
3
Protein name
Replicase polyprotein 1ab
PDB-KB Proteins
EC number
3.4.22.-, 2.7.7.48, 2.1.1.56, 2.1.1.57, 3.6.4.13, 3.4.22.69, 2.7.7.50, 3.1.13.-, 3.6.4.12, 4.6.1.-, 3.4.19.12
Ligand annotation
Unannotated
Total structures
1
Protein name
Avidin
PDB-KB Proteins
EC number
---
Ligand annotation
Unannotated
Total structures
2
Protein name
Bromodomain-containing protein 2
PDB-KB Proteins
EC number
---
Ligand annotation
Unannotated
Total structures
3
Protein name
Methylxanthine N1-demethylase NdmA
PDB-KB Proteins
EC number
1.14.13.178
Ligand annotation
Unannotated
Total structures
3
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 TEP 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
DrugCentral
ClinicalTrials
PharmGKB
Probes And Drugs
Guide to Pharmacology
EPA CompTox Dashboard
Mcule
ZINC
MedChemExpress
KEGG LIGAND
Rhea
HMDB
MetaboLights
NMRShiftDB
LINCS
fdasrs
Nikkaji
ChemicalBook