PDB ligand accession: Z92
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UXJPKQXTZFNBHT-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(cc3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- 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 |
---|---|---|---|---|---|
3L1S | Download | Experimental | e3l1sA1 e3l1sB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |