PDB ligand accession: 1WK
DrugBank: n/a
PubChem: 117071874;135566851;
ChEMBL: n/a
InChI Key: VKQAJTKFJIETGO-QGMIFYJMSA-N
SMILES: CNc1[nH]c2cc3c(c(c2n1)CCC4C(C(C(O4)OC)O)O)N=C(NC3=O)N
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 |
---|---|---|---|---|---|
6YHD | Download | Experimental | e6yhdA1 | TIM beta/alpha-barrel | LigPlot |
4LEQ | Download | Experimental | e4leqA1 | TIM beta/alpha-barrel | LigPlot |