PDB ligand accession: TR6
DrugBank: DB00685
PubChem: n/a
ChEMBL:
InChI Key: WVPSKSLAZQPAKQ-CDMJZVDBSA-N
SMILES: c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(c(c3)F)N4CC5C(C4)C5N)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Naphthyridines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KOE | Download | Experimental | e4koeA2 e4koeB2 e4koeC1 e4koeA2 e4koeB2 e4koeD1 | HTH HTH HAD domain-related HTH HTH HAD domain-related | LigPlot |
4Z53 | Download | Experimental | e4z53A2 e4z53B4 e4z53A5 e4z53A2 e4z53B4 e4z53B5 | HTH HTH HAD domain-related HTH HTH HAD domain-related | LigPlot |