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Ligand · 1KV

1KV · 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide

1KV, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide (C22 H33 N3 O5, 419.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1KV
Formula
C22 H33 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

1KV in 2 structures; the first of them:

  • 4JHZ · Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor… · 1KV A701 · binds PHE161, HIS162, ASP163, LEU361, GLU413, VAL446, MSE447, PHE448 and 5 more
  • 4JHZ · Structure of E. COLI beta-glucuronidase bound with a novel, potent inhibitor… · 1KV A701 · binds PHE161, HIS162, ASP163, LEU361, GLU413, VAL446, MSE447, PHE448 and 5 more

Residues it binds most

LEU 4, PHE 4, TYR 4, VAL 4, ARG 4, ASP 4, GLU 4, HIS 4, MSE 4 (residue and the binding sites it lines).

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