PDB ligand accession: MIX
DrugBank: DB01204
PubChem:
ChEMBL:
InChI Key: KKZJGLLVHKMTCM-UHFFFAOYSA-N
SMILES: c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO
Drug action: modulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Anthracenes
- Subclass: Anthraquinones
- Class: Anthracenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4G0V | Download | Experimental | e4g0vA1 e4g0vA4 e4g0vB14 e4g0vB16 | HAD domain-related HTH HTH HAD domain-related | LigPlot |