PDB ligand accession: NE8
DrugBank: DB08267
PubChem: 5326928;135438475;
ChEMBL: n/a
InChI Key: PBZAIUVFRISTSZ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
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 |
---|---|---|---|---|---|
6YGZ | Download | Experimental | e6ygzA1 | TIM beta/alpha-barrel | LigPlot |
6YGR | Download | Experimental | e6ygrA1 | TIM beta/alpha-barrel | LigPlot |
5I07 | Download | Experimental | e5i07A1 e5i07B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
1Y5V | Download | Experimental | e1y5vA1 | TIM beta/alpha-barrel | LigPlot |