PDB ligand accession: 046
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VQLNKQZLPGLOSI-UHFFFAOYSA-N
SMILES: CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3UGC | Download | Experimental | e3ugcA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7RN6 | Download | Experimental | e7rn6A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |