PDB ligand accession: n/a
DrugBank: DB14568
InChI Key: WIJZXSAJMHAVGX-DHLKQENFSA-N
SMILES: c1ccc(c(c1)C(C(=O)NC2CC(C2)(F)F)N(c3cc(cnc3)F)C(=O)C4CCC(=O)N4c5cc(ccn5)C#N)Cl
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
| # | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
|---|---|---|---|---|---|
| 1 | O75874_DB14568 | O75874 | Isocitrate dehydrogenase [NADP] | inhibitor |