PDB ligand accession: UM4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WMMNTQFZCHUZSM-MJGOQNOKSA-N
SMILES: c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)C6CCC7CCC(=O)N7C6)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6X3P | Download | Experimental | e6x3pA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |