Attributes
UniProt ID
Protein Name
Plasmepsin II
Ligand Name
5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KCQAMDDVQXZDMS-OIDHKYIRSA-N
SMILES
CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4cccc(c4)OC)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4CKU
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Color Legend
Unassigned regionsLigand / hetero atomse4ckuA1e4ckuA2e4ckuB1e4ckuB2e4ckuC1e4ckuC2e4ckuD1e4ckuD2e4ckuE1e4ckuE2e4ckuF1e4ckuF2
ECOD domains from experimental PDB structures interacting with ligand P2F
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P46925 | n/a | P2F | 4cku | e4ckuA1 | A:178-329 |
| P46925 | n/a | P2F | 4cku | e4ckuA2 | A:3-177 |
| P46925 | n/a | P2F | 4cku | e4ckuB1 | B:178-329 |
| P46925 | n/a | P2F | 4cku | e4ckuB2 | B:3-177 |
| P46925 | n/a | P2F | 4cku | e4ckuC1 | C:178-329 |
| P46925 | n/a | P2F | 4cku | e4ckuC2 | C:2-177 |
| P46925 | n/a | P2F | 4cku | e4ckuD1 | D:178-329 |
| P46925 | n/a | P2F | 4cku | e4ckuD2 | D:2-177 |
| P46925 | n/a | P2F | 4cku | e4ckuE1 | E:178-329 |
| P46925 | n/a | P2F | 4cku | e4ckuE2 | E:2-177 |
| P46925 | n/a | P2F | 4cku | e4ckuF1 | F:178-329 |
| P46925 | n/a | P2F | 4cku | e4ckuF2 | F:1-177 |