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Ligand · 6GI

6GI · 13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3, 9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine

6GI, 13-[4-({imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3, 9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine (C26 H23 N7 O3, 481.5 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
6GI
Formula
C26 H23 N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

6GI in 2 structures; the first of them:

  • 7W5O · Crystal structure of ERK2 with an allosteric inhibitor · 6GI B606 · binds THR118, GLN119, GLN62, THR63, GLN66, ARG67, ARG70, LEU170 and 12 more
  • 7W5O · Crystal structure of ERK2 with an allosteric inhibitor · 6GI B606 · binds THR118, GLN119, THR63, GLN66, ARG67, ARG70, ARG172, THR181 and 8 more

Residues it binds most

THR 2, ARG 2, GLN 2, ASP 2, GLU 2, TYR 2, LEU 2, HIS 1, PHE 1 (residue and the binding sites it lines).

Found with

  • 5ID · (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol
  • NA · Sodium ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • MLA · Malonic acid
  • SIN · Succinic acid
  • TAR · D(-)-tartaric acid

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