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Ligand · 2KS

2KS · 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine

2KS, 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine (C22 H27 N O, 321.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
2KS
Formula
C22 H27 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2KS in 2 structures; the first of them:

  • 4N8D · DPP4 complexed with syn-7aa · 2KS A815 · binds ARG125, GLU205, GLU206, SER209, PHE357, ARG358, TYR547, SER630 and 7 more
  • 4N8D · DPP4 complexed with syn-7AA · 2KS A815 · binds ARG125, GLU205, GLU206, SER209, PHE357, ARG358, TYR547, SER630 and 7 more

Residues it binds most

TYR 4, ARG 4, GLU 4, SER 4, VAL 4, ASN 4, HIS 4, PHE 4 (residue and the binding sites it lines).

Found with

  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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