Attributes
UniProt ID
Protein Name
CdtA
Ligand Name
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MZZBHZOHYGEGEE-DOMZBBRYSA-N
SMILES
c1cc(ccc1SCC2CN(CC2O)Cc3c[nH]c4c3ncnc4N)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6X6R
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 atomse6x6rA1e6x6rA2e6x6rB1e6x6rB2