PDB ligand accession: KRJ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XPCQXAQALLRVJQ-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3KRJ | Download | Experimental | e3krjA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |