Ligand name: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
PDB ligand accession: 3CQ
DrugBank: n/a
PubChem: 59447577
ChEMBL: CHEMBL3342332
InChI Key: SOYCFODXNRVBTI-UHFFFAOYSA-N
SMILES: CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O
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 Q07817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QVX	Download	Experimental	e4qvxA1 e4qvxB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot