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Ligand · A1A6B

A1A6B · (2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid

A1A6B, (2S)-(2-cyclopropylphenyl){(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid (C27 H35 N3 O3, 449.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
A1A6B
Formula
C27 H35 N3 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1A6B in 1 structure; the first of them:

  • 9CZA · Crystal structure of integrin avb6 headpiece in complex with compound 18 · A1A6B B2004 · binds ASP150, PHE177, TYR178, GLN180, THR212, ALA213, ALA215, ASP218 and 12 more

Residues it binds most

ALA 1, ASP 1, SER 1, ILE 1, THR 1, ASN 1, GLN 1, GLU 1, PHE 1, PRO 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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