PDB ligand accession: IHH
DrugBank: DB07966
PubChem:
ChEMBL: n/a
InChI Key: NVMCVWOODOWOLT-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6YG5 | Download | Experimental | e6yg5A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |