PDB ligand accession: 1K0
DrugBank: DB12000
PubChem: 24871506;135564749;
ChEMBL:
InChI Key: NETXMUIMUZJUTB-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC
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 |
---|---|---|---|---|---|
4MR4 | Download | Experimental | e4mr4A1 | Bromodomain-like | LigPlot |
4MR3 | Download | Experimental | e4mr3A1 | Bromodomain-like | LigPlot |
4J3I | Download | Experimental | e4j3iA1 | Bromodomain-like | LigPlot |