PDB ligand accession: 3U1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FCGLYPSBPNFQRF-FQEVSTJZSA-N
SMILES: c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)OC5CNCCC56CC6)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrazoles
- Subclass: Indazoles
- Class: Benzopyrazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4WRS | Download | Experimental | e4wrsA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |