PDB ligand accession: 6MM
DrugBank: n/a
PubChem: 126970786;135567188;
ChEMBL: n/a
InChI Key: SAAYEWUENSTOGT-JRMKUOIOSA-N
SMILES: CC1(OCC2(O1)C3C(C(O2)CNc4[nH]c5cc6c(cc5n4)N=C(NC6=O)N)OC(O3)(C)C)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 |
---|---|---|---|---|---|
5JSW | Download | Experimental | e5jswA1 | TIM beta/alpha-barrel | LigPlot |