PDB ligand accession: GE5
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: OCIGBTIRVZOQBN-BSRQYYOTSA-N
SMILES: COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)N=Nc4ccccc4)c5ccc(cc5)F)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Methoxybenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6HWU | Download | Experimental | e6hwuA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |