PDB ligand accession: C1I
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KSGZCKSNTAJOJS-DZBMUNJRSA-N
SMILES: CC12CC=C3C=C4C(C(C(CC45CCC3(C1CCC2c6ccc7ccncc7c6)O5)N(C)C)O)O
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 |
---|---|---|---|---|---|
4CRL | Download | Experimental | e4crlA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |