Ligand name: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid
PDB ligand accession: WBV
DrugBank: DB18974
PubChem: 142435949
ChEMBL: CHEMBL5095077
InChI Key: GNRDGAWRAIJOSU-DEOSSOPVSA-N
SMILES: Cc1c(n(c2c1c(c(c(n2)C)C(C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)Cc4cnn(c4)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein P12497

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8A1Q	Download	Experimental	e8a1qB1 e8a1qC1 e8a1qD1 e8a1qA1 e8a1qB1 e8a1qD1	Ribonuclease H-like SH3 Ribonuclease H-like SH3 Ribonuclease H-like Ribonuclease H-like	LigPlot