PDB ligand accession: DKK
DrugBank: DB07665
PubChem:
ChEMBL:
InChI Key: STHCHQXQLDMISY-UHFFFAOYSA-N
SMILES: [H]N=C(N)NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccn2)(F)F)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylacetamides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3C27 | Download | Experimental | e3c27.1 | cradle loop barrel | LigPlot |