PDB ligand accession: 15U
DrugBank: n/a
PubChem: 445156;40469133;
ChEMBL:
InChI Key: KXNPVXPOPUZYGB-MXSMSXNCSA-N
SMILES: CC1CCN(C(C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4RN6 | Download | Experimental | e4rn6A1 e4rn6B1 | cradle loop barrel cradle loop barrel | LigPlot |
4HFP | Download | Experimental | e4hfp.1 e4hfp.3 | cradle loop barrel cradle loop barrel | LigPlot |