Ligand name: 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
PDB ligand accession: VP7
DrugBank: n/a
PubChem: 58221549
ChEMBL: CHEMBL2334586
InChI Key: DGLFSNZWRYADFC-UHFFFAOYSA-N
SMILES: CC(C)(C#Cc1ccc2c(c1)c-3c([nH]2)CCCc4c3nc(nc4)N)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein Q5TCY1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7ZHN	Download	Experimental	e7zhnA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7JXX	Download	Experimental	e7jxxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot