PDB ligand accession: FTI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KXPIURLUHSBSHE-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn4Cc5ccc(cc5)C#N)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: None
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1N9A | Download | Experimental | e1n9aB1 e1n9aA1 | Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |