DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Falcipain 2
Ligand Name
(~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MALGARLLWBWYQV-GQCTYLIASA-N
SMILES
c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2ccc3c(c2)OCO3
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6SSZ
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Color Legend
Unassigned regionsLigand / hetero atomse6sszA1e6sszB1
ECOD domains from experimental PDB structures interacting with ligand JV1
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9N6S8n/aJV16ssze6sszA1A:-17-223
Q9N6S8n/aJV16ssze6sszB1B:-16-222