Attributes
UniProt ID
Protein Name
Putative esterase PA1618
Ligand Name
benzoyl-oxydephosphocoenzyme A
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KLLSEACSJWFZEP-NKRQLCBBSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)c2[nH]c3c(n2)c(ncn3)N)O)O)C(C(=O)NCCC(=O)NCCOC(=O)c4ccccc4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4QD9
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 atomse4qd9A1e4qd9B1e4qd9C1e4qd9D1e4qd9E1e4qd9F1