PDB ligand accession: NKF
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ILPWEAHQRAWJIU-OAHLLOKOSA-N
SMILES: Cc1c(cccc1C(C)Nc2c3cc(ncc3c(nn2)C)N4CCOCC4)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzonitriles
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7UKR | Download | Experimental | e7ukrA1 e7ukrB1 | Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |