PDB ligand accession: CHU
DrugBank: DB15254
PubChem:
ChEMBL:
InChI Key: LMMJFBMMJUMSJS-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC
Drug action: modulator
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: None
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7MFD | Download | Experimental | e7mfdA1 e7mfdA2 e7mfdB1 | Protein kinase/SAICAR synthase/ATP-grasp beta-Grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7M0Z | Download | Experimental | e7m0zA1 e7m0zB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |