GL1X · GenesisL1 explorer

Ligand · 3N6

3N6 · 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

3N6, 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 (C38 H47 Br2 N9 O5, 869.7 g/mol), in the MolNFT structures on…

Component
3N6
Formula
C38 H47 Br2 N9 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3N6 in 2 structures; the first of them:

  • 6ZIS · Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity… · 3N6 A2204 · binds ALA1070, ASP1071, TRP1074, HIS1075, TRP1084, PRO1085, ARG2038, ILE2041 and 14 more
  • 6ZIS · Crystal structure of a cgrp receptor ectodomain heterodimer with bound high affinity… · 3N6 A2204 · binds ALA1070, ASP1071, TRP1074, HIS1075, TRP1084, PRO1085, ARG2038, ILE2041 and 12 more

Residues it binds most

TRP 2, ASP 2, THR 2, ARG 2, PHE 2, ALA 2, GLY 2, HIS 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • GLC · alpha-D-glucopyranose
  • PG4 · Tetraethylene glycol

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