PDB ligand accession: 9CH
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: QXCXMVYVUHVFLP-UHFFFAOYSA-N
SMILES: CN1c2c(n(c(n2)N3CCNCC3)Cc4nnc(o4)c5ccc(c(c5)Cl)Cl)C(=O)N(C1=O)C
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 |
---|---|---|---|---|---|
5NWH | Download | Experimental | e5nwhA1 e5nwhB1 | beta-Grasp beta-Grasp | LigPlot |