Ligand name: N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide
PDB ligand accession: 3N6
DrugBank: DB04869
PubChem: 6918509
ChEMBL: CHEMBL207197
InChI Key: ITIXDWVDFFXNEG-JHOUSYSJSA-N
SMILES: c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)NC(Cc4cc(c(c(c4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)c6ccncc6
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q16602

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3N7R	Download	Experimental	e3n7rC1 e3n7rD1 e3n7rA1	Receptor activity-modifying protein (RAMP) Receptor activity-modifying protein (RAMP) Hormone receptor domain (HRM, Pfam 02793)	LigPlot
3N7S	Download	Experimental	e3n7sC1 e3n7sD1 e3n7sA1	Receptor activity-modifying protein (RAMP) Receptor activity-modifying protein (RAMP) Hormone receptor domain (HRM, Pfam 02793)	LigPlot