PDB ligand accession: U94
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NTCBTNCWNRCBGX-YTQUADARSA-N
SMILES: COCC(=O)NC(Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)C(C(C(=O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Biphenyls and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4MDK | Download | Experimental | e4mdkA1 e4mdkE1 e4mdkB1 e4mdkF1 e4mdkC1 e4mdkG1 e4mdkH1 e4mdkD2 | UBC-like beta-Grasp UBC-like beta-Grasp UBC-like beta-Grasp beta-Grasp UBC-like | LigPlot |