DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Pyruvate dehydrogenase E1 component
Ligand Name
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
C1CN(CCN1CCO)CCS(=O)(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 3LPL
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse3lplA1e3lplA3e3lplA4e3lplB2e3lplB3e3lplB4
ECOD domains from experimental PDB structures interacting with ligand DB16872
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0AFG9DB16872EPE3lple3lplA1A:56-470
P0AFG9DB16872EPE3lple3lplB4B:56-470
P0AFG9DB16872EPE3lq2e3lq2A4A:56-470
P0AFG9DB16872EPE3lq4e3lq4A4A:56-470