PDB ligand accession: N45
DrugBank: DB15219
PubChem:
ChEMBL:
InChI Key: HKTBYUWLRDZAJK-UHFFFAOYSA-N
SMILES: CC1=C2C(=O)NC3(N2C(=O)C(=C1)Nc4cc(ncn4)N)CCCCC3
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Carboxylic acid derivatives
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6CK6 | Download | Experimental | e6ck6A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |