PDB ligand accession: JAN
DrugBank: DB04960
PubChem:
ChEMBL:
InChI Key: PLHJCIYEEKOWNM-HHHXNRCGSA-N
SMILES: Cn1cncc1C(c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Diarylheptanoids
- Subclass: Linear diarylheptanoids
- Class: Diarylheptanoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1X81 | Download | Experimental | e1x81B1 | Repetitive alpha hairpins | LigPlot |