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Ligand · 180

180 · 2-(S)-[N-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid

180, 2-(S)-[N-(3-pyridylsulfonyl)amino]-3-[[2-carbonyl-5-[2-(piperidin-4-yl)ethyl]-thieno[2,3-b]thiopheneyl]amino]-propionic acid (C22 H26 N4 O5 S3, 522.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
180
Formula
C22 H26 N4 O5 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

180 in 2 structures; the first of them:

  • 2VC2 · Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist L-739758 · 180 B1477 · binds ASP159, PHE160, SER161, TYR189, TYR190, LEU192, ASP224, SER225 and 12 more
  • 2VC2 · Re-refinement of integrin ALPHAIIBBETA3 headpiece bound to antagonist L-739758 · 180 B1477 · binds ASP159, PHE160, SER161, TYR189, TYR190, LEU192, ASP224, SER225 and 12 more

Residues it binds most

SER 2, TYR 2, ASP 2, ARG 2, PHE 2, ALA 2, ASN 2, GLU 2, LEU 2 (residue and the binding sites it lines).

Found with

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

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