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Ligand · A1A6A

A1A6A · (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid

A1A6A, (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid (C24 H31 N3 O3, 409.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
A1A6A
Formula
C24 H31 N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1A6A in 1 structure; the first of them:

  • 9CZ7 · Crystal structure of integrin avb6 headpiece in complex with compound 12 · A1A6A B2004 · binds ASP150, PHE177, TYR178, GLN180, THR212, ALA213, ALA215, ASP218 and 11 more

Residues it binds most

ALA 1, ASP 1, SER 1, ILE 1, THR 1, ASN 1, GLN 1, GLU 1, PHE 1, TYR 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ACT · Acetate ion
  • GOL · Glycerol

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