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Ligand · 7IR

7IR · (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl) methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028, 31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione

7IR, (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl) methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028, 31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione (C36 H39 N7 O6, 665.8 g/mol)…

Component
7IR
Formula
C36 H39 N7 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

7IR in 2 structures; the first of them:

  • 7P0F · Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic… · 7IR A2201 · binds ARG1067, ALA1070, ASP1071, TRP1074, TRP1084, PRO1085, ARG2038, ILE2041 and 10 more
  • 7P0F · Crystal structure of a cgrp receptor ectodomain heterodimer bound to macrocyclic… · 7IR A2201 · binds ARG1067, ALA1070, ASP1071, TRP1074, TRP1084, ARG2038, ILE2041, MET2042 and 8 more

Residues it binds most

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

Found with

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

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