Attributes
UniProt ID
Protein Name
Plasmepsin II
Ligand Name
N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BUOYUEMVUCMLPE-LQJZCPKCSA-N
SMILES
CCCN(CCC)C(=O)c1cc(cc(c1)N2CC=CC=C2)C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4ccccn4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4YA8
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 atomse4ya8A1e4ya8A2e4ya8B1e4ya8B2e4ya8C1e4ya8C2e4ya8D1
ECOD domains from experimental PDB structures interacting with ligand 49W