Ligand name: 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid
PDB ligand accession: RQ7
DrugBank: n/a
PubChem: 71553299
ChEMBL: CHEMBL3910958
InChI Key: WBCFKELVKOCTOB-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzylamines

List of PDB structures and/or AlphaFold models with target protein Q07817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VWC	Download	Experimental	e6vwcA1 e6vwcB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot