PDB ligand accession: 3FP
DrugBank: DB07054
PubChem:
ChEMBL: n/a
InChI Key: OSCWQKTUILTARV-MRXNPFEDSA-N
SMILES: CN(C)CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O
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 |
---|---|---|---|---|---|
1V1K | Download | Experimental | e1v1kA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |