PDB ligand accession: YK1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RZLXOEIALAVGKH-UHFFFAOYSA-N
SMILES: CN1CCc2cc(c(cc2C1)Nc3ncc(c(n3)Nc4c(cccc4F)C(F)(F)F)C(=O)N)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrahydroisoquinolines
- Subclass: None
- Class: Tetrahydroisoquinolines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7M0M | Download | Experimental | e7m0mA1 e7m0mB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |