PDB ligand accession: YM8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: SRBJWIBAMIKCMV-GFCCVEGCSA-N
SMILES: CC(CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2YM8 | Download | Experimental | e2ym8A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |