PDB ligand accession: MCI
DrugBank: DB02706
PubChem:
ChEMBL: n/a
InChI Key: DUKDFMPUZRDWLT-CQSZACIVSA-N
SMILES: c1ccc(cc1)CCC(CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiophenes
- Subclass: 2,5-disubstituted thiophenes
- Class: Thiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1DD6 | Download | Experimental | e1dd6A1 e1dd6B1 | Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase | LigPlot |