PDB ligand accession: 2RS
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WHJBZYIBIYGODX-UHFFFAOYSA-N
SMILES: Cc1cc(c(c(c1)C)Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C
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 |
---|---|---|---|---|---|
4O44 | Download | Experimental | e4o44A1 e4o44A3 e4o44B1 | Ribonuclease H-like Alpha-beta plaits Alpha-beta plaits | LigPlot |