Ligand name: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PDB ligand accession: 9DP
DrugBank: n/a
PubChem: 11854202;72200433;
ChEMBL: n/a
InChI Key: CMUVVEBHULJOFP-SFHVURJKSA-N
SMILES: CC(C)(C)c1cc(n(n1)c2ccc3c(c2)CC(NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00519

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3QRK	Download	Experimental	e3qrkA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot