PDB ligand accession: 2E1
DrugBank: DB06958
PubChem:
ChEMBL:
InChI Key: SORAKBHHTGVZCS-UHFFFAOYSA-N
SMILES: CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2CCT | Download | Experimental | e2cctA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |