PDB ligand accession: 54R
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YKOOMRAFJFSHPY-UHFFFAOYSA-N
SMILES: CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Biphenyls and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5CU0 | Download | Experimental | e5cu0A1 e5cu0B1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5CTP | Download | Experimental | e5ctpA1 e5ctpB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |