PDB ligand accession: R61
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YFAXWSXYQLAMER-UHFFFAOYSA-N
SMILES: Cc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Phenylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6VNI | Download | Experimental | e6vniB1 e6vniA1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |