PDB ligand accession: 1X5
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XLLCMCCHDIWDPC-UHFFFAOYSA-N
SMILES: CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3KVJ | Download | Experimental | e3kvjA1 | TIM beta/alpha-barrel | LigPlot |