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Ligand · VN1

VN1 · 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide

VN1, 4-[(1-{(1S,2S)-1-[1-(4-aminobutyl)-1H-1,2,3-triazol-4-yl]-2-methylbutyl}-1H-1,2,3-triazol-4-yl)methoxy]-3-methoxybenzene-1-carboximidamide (C22 H33 N9 O2, 455.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
VN1
Formula
C22 H33 N9 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VN1 in 2 structures; the first of them:

  • 7JWX · Crystal Structure of Trypsin Bound O-methyl Benzamidine · VN1 A301 · binds HIS40, ASN123, GLY128, ASP171, SER172, CYS173, GLN174, GLY175 and 21 more
  • 7JWX · Crystal structure of trypsin bound O-methyl benzamidine · VN1 A301 · binds HIS40, ASN123, GLY128, ASP171, SER172, CYS173, GLN174, GLY175 and 21 more

Residues it binds most

GLY 8, SER 8, CYS 8, GLN 8, HIS 8, TRP 8, ASN 8, TYR 8, VAL 8, THR 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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