PDB ligand accession: 2VV
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NCXHAHGMYXETMO-QHCPKHFHSA-N
SMILES: CN(C)CCC(c1ccccc1)n2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5
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 |
---|---|---|---|---|---|
4PPB | Download | Experimental | e4ppbA1 e4ppbB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |