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Ligand · A1D5N

A1D5N · (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid

A1D5N, (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid (C25 H33 N3 O3 S, 455.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
A1D5N
Formula
C25 H33 N3 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

A1D5N in 2 structures; the first of them:

  • 8S4D · Crystal structure of a peptidergic GPCR in complex with a small synthetic G… · A1D5N A1201 · binds TYR35, PHE78, LEU82, TRP85, SER106, ILE109, PHE110, MET113 and 14 more
  • 8XZI · Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex · A1D5N R401 · binds TYR35, PHE78, LEU82, TRP85, SER106, ILE109, PHE110, MET113 and 12 more

Residues it binds most

TYR 2, PHE 2, MET 2, LEU 2, TRP 2, SER 2, ARG 2, ILE 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • OLA · Oleic acid
  • 1PE · Pentaethylene glycol

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