DrugDomain logoDrugDomain

Attributes

UniProt ID
Q965D7
Protein Name
3-hydroxyacyl- dehydratase
Ligand Name
4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
DrugBank ID
None
PDB Ligand Accession
S21
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CDSAMNVLRSHLPN-UHFFFAOYSA-N
SMILES
c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)[O-]
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 3AZ8
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Color Legend
Unassigned regionsLigand / hetero atomse3az8A1e3az8B2e3az8C2e3az8D2e3az8E2e3az8F2e3az8G2e3az8H2e3az8I2e3az8J2e3az8K2e3az8L2e3az8M2e3az8N2e3az8O2e3az8P2e3az8Q2e3az8R2e3az8S2e3az8T2e3az8U2e3az8V2e3az8W2e3az8X2
ECOD domains from experimental PDB structures interacting with ligand S21
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q965D7n/aS213az8e3az8C2C:85-228
Q965D7n/aS213az8e3az8D2D:84-227
Q965D7n/aS213az8e3az8E2E:84-228
Q965D7n/aS213az8e3az8F2F:84-229
Q965D7n/aS213az8e3az8O2O:85-228
Q965D7n/aS213az8e3az8P2P:84-228
Q965D7n/aS213az8e3az8Q2Q:84-228
Q965D7n/aS213az8e3az8R2R:84-229