PDB ligand accession: DRN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DSXXEELGXBCYNQ-UHFFFAOYSA-N
SMILES: [H]N=C(N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: N-alkylindoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4OTH | Download | Experimental | e4othA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |