PDB ligand accession: QH1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VAUBUHYXHFOSFJ-UHFFFAOYSA-N
SMILES: CCCS(=O)(=O)Nc1ccc(c(c1F)n2cc(c3c2ccc(n3)N(C)C4CCN(CC4)C(=O)C)c5cncnc5)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrroles
- Subclass: Substituted pyrroles
- Class: Pyrroles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6UUO | Download | Experimental | e6uuoA1 e6uuoB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |