PDB ligand accession: 14A
DrugBank: DB06859
PubChem:
ChEMBL:
InChI Key: XWIUMAPBZWNFNV-UHFFFAOYSA-N
SMILES: C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1T4V | Download | Experimental | e1t4v.1 | cradle loop barrel | LigPlot |