DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Iron enterobactin esterase
Ligand Name
~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XJMZSRWAQFOMTB-PMACEKPBSA-N
SMILES
C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 6GI2
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 atomse6gi2A1e6gi2B1
ECOD domains from experimental PDB structures interacting with ligand 8SW
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9I0F2n/a8SW6gi2e6gi2A1A:11-276
Q9I0F2n/a8SW6gi2e6gi2B1B:6-277
Q9I0F2n/a8SW6gi5e6gi5A1A:5-276
Q9I0F2n/a8SW6gi5e6gi5B1B:3-277