PDB ligand accession: V0Y
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NBAIXBAUHIQQGF-UHFFFAOYSA-N
SMILES: CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6W4K | Download | Experimental | e6w4kA1 e6w4kA3 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |