Ligand name: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
PDB ligand accession: 83J
DrugBank: DB14675
PubChem: 11317439
ChEMBL: CHEMBL3301620
InChI Key: QRPZBKAMSFHVRW-UHFFFAOYSA-N
SMILES: Cc1ncn(n1)c2c3c(c(c[nH]3)C(=O)C(=O)N4CCN(CC4)C(=O)c5ccccc5)c(cn2)OC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q2N0S5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5U7O	Download	Experimental	e5u7oG1 e5u7oG2 e5u7oG3	gp120 inner domain Ribosomal protein L31e-like V1/V2 domain in HIV gp120	LigPlot