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Attributes

UniProt ID
Protein Name
Plasmepsin II
Ligand Name
5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DBMUWIXNLHQYDY-OCVHHRCCSA-N
SMILES
CC(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(CC(=O)NC(C)C(=O)NC(C(CC(=O)OC)O)C(F)(F)F)O)C(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 1XE5
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Color Legend
Unassigned regionsLigand / hetero atomse1xe5A2e1xe5A3e1xe5B2e1xe5B3
ECOD domains from experimental PDB structures interacting with ligand 5FE
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P46925n/a5FE1xe5e1xe5A2A:1-177
P46925n/a5FE1xe5e1xe5A3A:178-329
P46925n/a5FE1xe5e1xe5B2B:1-177
P46925n/a5FE1xe5e1xe5B3B:178-329