PDB ligand accession: L64
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HLHOHTNONYACFD-UHFFFAOYSA-N
SMILES: c1cc(cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: N-phenylureas
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3IBE | Download | Experimental | e3ibeA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |