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Ligand · AQE

AQE · 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

AQE, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (C19 H23 N5 S, 353.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
AQE
Formula
C19 H23 N5 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

AQE in 1 structure; the first of them:

  • 5OTE · Mrck beta in complex with bdp-00008900 · AQE A501 · binds ILE82, VAL90, ALA103, LYS105, MET153, ASP154, TYR155, TYR156 and 5 more

Residues it binds most

ALA 1, ASP 1, TYR 1, ASN 1, ILE 1, LEU 1, LYS 1, MET 1, PHE 1, VAL 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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