PDB ligand accession: BX2
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QQPRKWVAAAEILV-QHCPKHFHSA-N
SMILES: CCc1cc(cc(n1)CC)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4
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 |
---|---|---|---|---|---|
3IN4 | Download | Experimental | e3in4A2 e3in4A3 | cradle loop barrel cradle loop barrel | LigPlot |