PDB ligand accession: CK7
DrugBank: DB02833
PubChem:
ChEMBL:
InChI Key: DYTKVFHLKPDNRW-UHFFFAOYSA-N
SMILES: Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Nitrobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
| # | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
|---|---|---|---|---|---|
| 1 | P24941_CK7 | P24941 | Cyclin-dependent kinase 2 | n/a | Ki(nM) = 2.0 IC50(nM) = 10.0 |
| 2 | Q96PY6_CK7 | Q96PY6 | Serine/threonine-protein kinase Nek1 | n/a | |
| 3 | P20248_CK7 | P20248 | Cyclin-A2 (Cyclin-A) (Cyclin | n/a |