PDB ligand accession: 6MQ
DrugBank: n/a
PubChem: 126970785;135567187;
ChEMBL: n/a
InChI Key: DVNDKLBXQGGFSV-RGCMKSIDSA-N
SMILES: CC1(OC2C(OC(C2O1)OC)CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5JSV | Download | Experimental | e5jsvA1 | TIM beta/alpha-barrel | LigPlot |