PDB ligand accession: N38
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JSFDYEDTWWEPLF-HFMPRLQTSA-N
SMILES: COc1ccc(cc1)OCCCS(=O)(=O)NC(CC2CCCCC2)C(=O)NC(CC3CCNC3=O)CO
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 |
---|---|---|---|---|---|
5T6D | Download | Experimental | e5t6dA1 e5t6dB1 e5t6dB1 | cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |
5T6F | Download | Experimental | e5t6fA1 e5t6fB1 | cradle loop barrel cradle loop barrel | LigPlot |