PDB ligand accession: CKI
DrugBank: DB03693
PubChem:
ChEMBL:
InChI Key: OGKYMFFYOWUTKV-UHFFFAOYSA-N
SMILES: c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl
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 |
---|---|---|---|---|---|
3Q2J | Download | Experimental | e3q2jA1 e3q2jB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |