PDB ligand accession: MUI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BUJKGFQFFGUYEM-YPKYBTACSA-N
SMILES: CC(C)CN(CC(C(Cc1ccccc1)NC(=O)C2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2I0A | Download | Experimental | e2i0aA1 e2i0aB1 | cradle loop barrel cradle loop barrel | LigPlot |