PDB ligand accession: 7DL
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OFZZWFXXZYRSIS-PZVJUEDKSA-N
SMILES: COC(=O)Nc1ccc-2c(c1)CCCCCCCC(c3[nH]c(c2n3)Cl)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: Cinnamic acid amides
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5TKS | Download | Experimental | e5tksA1 | cradle loop barrel | LigPlot |