PDB ligand accession: 2HB
DrugBank: DB14845
PubChem:
ChEMBL:
InChI Key: RIJLVEAXPNLDTC-UHFFFAOYSA-N
SMILES: c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4P7E | Download | Experimental | e4p7eA1 e4p7eB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5UT5 | Download | Experimental | e5ut5A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |