PDB ligand accession: C7X
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BCDWEYSMCDBNJS-GAJHUEQPSA-N
SMILES: CC1(C(CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Stilbenes
- Subclass: None
- Class: Stilbenes
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6JSF | Download | Experimental | e6jsfA1 e6jsfA2 | cradle loop barrel cradle loop barrel | LigPlot |