DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Acyl-homoserine lactone acylase PvdQ
Ligand Name
(2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DXQNDKQUHKVTTC-NSHDSACASA-N
SMILES
c1cc(nc(c1)C(F)(F)F)C(C#N)c2ccc(cc2)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 4K2G
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Color Legend
Unassigned regionsLigand / hetero atomse4k2gA1e4k2gB1
ECOD domains from experimental PDB structures interacting with ligand 1OQ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q9I194n/a1OQ4k2ge4k2gA1A:29-192
Q9I194n/a1OQ4k2ge4k2gB1B:217-762