PDB ligand accession: OH8
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PKDWPGOXVXMHCS-UHFFFAOYSA-N
SMILES: CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC
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 |
---|---|---|---|---|---|
6Y9R | Download | Experimental | e6y9rA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |