PDB ligand accession: KSE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BMQFLKKGNQVSNN-UHFFFAOYSA-N
SMILES: Cc1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O)N)NCC(C)(C)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Methoxybenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3AC2 | Download | Experimental | e3ac2A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |