PDB ligand accession: 2GE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PNMYJIOQIAEYQL-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4N1U | Download | Experimental | e4n1uA1 e4n1uB1 | beta-Grasp beta-Grasp | LigPlot |