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Ligand · 2KV

2KV · 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one

2KV, 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one (C18 H25 Cl N2 O, 320.9 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
2KV
Formula
C18 H25 Cl N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

2KV in 2 structures; the first of them:

  • 4N8E · DPP4 complexed with compound 12a · 2KV A815 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER630, TYR631 and 7 more
  • 4N8E · DPP4 complexed with compound 12A · 2KV A815 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, SER630, TYR631 and 7 more

Residues it binds most

TYR 4, GLU 4, SER 4, VAL 4, ARG 4, ASN 4, HIS 4, PHE 4, TRP 4, ASP 2 (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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