PDB ligand accession: 5P8
DrugBank: DB12130
PubChem:
ChEMBL:
InChI Key: IIXWYSCJSQVBQM-LLVKDONJSA-N
SMILES: CC1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Macrolactams
- Subclass: None
- Class: Macrolactams
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4UXL | Download | Experimental | e4uxlA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |