PDB ligand accession: BJG
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GTPKZTQLTICGMS-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl
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 |
---|---|---|---|---|---|
4D1S | Download | Experimental | e4d1sA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |