PDB ligand accession: D7D
DrugBank: DB14973
PubChem: n/a
ChEMBL:
InChI Key: IUEWXNHSKRWHDY-PHIMTYICSA-N
SMILES: CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyrimidines
- Subclass: Pyrrolo[2,3-d]pyrimidines
- Class: Pyrrolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6BBV | Download | Experimental | e6bbvA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |