PDB ligand accession: 21W
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RLANZYKQCHLLJS-UHFFFAOYSA-N
SMILES: c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thienopyrimidines
- Subclass: None
- Class: Thienopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4MCB | Download | Experimental | e4mcbA1 e4mcbB1 | alpha/beta knot alpha/beta knot | LigPlot |