PDB ligand accession: JNJ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MGUDDBRJHXFTEY-UHFFFAOYSA-N
SMILES: CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N
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 |
---|---|---|---|---|---|
2RA0 | Download | Experimental | e2ra0A1 | cradle loop barrel | LigPlot |