Ligand name: 3'-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-N-[(1S)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1',4'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrrolo[3,4-c]pyrazole]-5'-carboxamide
PDB ligand accession: 82B
DrugBank: n/a
PubChem: 71660629
ChEMBL: n/a
InChI Key: FWWFONGGISSNJV-HXUWFJFHSA-N
SMILES: Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)NC(CN5CCCC5)c6ccccc6)Br
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q14680

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BKY	Download	Experimental	e4bkyA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot