PDB ligand accession: CK4
DrugBank: DB02915
PubChem:
ChEMBL:
InChI Key: MEZFDQUDLQCVNX-UHFFFAOYSA-N
SMILES: Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Trifluoromethylbenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2C5V | Download | Experimental | e2c5vA1 e2c5vC1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
1PXL | Download | Experimental | e1pxlA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |