PDB ligand accession: 1M7
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UPOMBIAVTOFWMY-LJQANCHMSA-N
SMILES: CC1(Cc2ccc(cc2C3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C
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 |
---|---|---|---|---|---|
4JPE | Download | Experimental | e4jpeA2 e4jpeA3 | cradle loop barrel cradle loop barrel | LigPlot |