PDB ligand accession: AGG
DrugBank: DB00775
PubChem: 60947;40466968;
ChEMBL:
InChI Key: COKMIXFXJJXBQG-NRFANRHFSA-N
SMILES: CCCCS(=O)(=O)NC(Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O
Drug action: antagonist
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 |
---|---|---|---|---|---|
2VDM | Download | Experimental | e2vdmB3 e2vdmA1 | HAD domain-related beta-propeller-like | LigPlot |
7TD8 | Download | Experimental | e7td8A1 e7td8B3 e7td8C1 e7td8D2 | beta-propeller-like HAD domain-related beta-propeller-like HAD domain-related | LigPlot |