PDB ligand accession: 5FR
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: NRECIWMNKXRLNI-UHFFFAOYSA-N
SMILES: Cc1c2cnc(cc2n(n1)c3cc(cc(c3)Cl)CCC(=O)N)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3DBF | Download | Experimental | e3dbfA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |