PDB ligand accession: 809
DrugBank: DB07257
PubChem:
ChEMBL: n/a
InChI Key: WHMQZCPGFZBLBG-UHFFFAOYSA-N
SMILES: Cn1cc(c2c1cc(c3c2C(=O)NC3=O)c4ccccc4Cl)CCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Pyrroloindoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3CR0 | Download | Experimental | e3cr0A2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |