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Ligand · HVT

HVT · (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione

HVT, (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione (C32 H47 N3 O4, 537.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
HVT
Formula
C32 H47 N3 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

HVT in 1 structure; the first of them:

  • 6QBG · Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14 · HVT A103 · binds ASP33, GLY35, SER36, ILE76, HIS77, TYR78, GLY79, SER80 and 12 more

Residues it binds most

ILE 2, GLY 1, LEU 1, SER 2, THR 2, ASP 1, GLN 1, MET 2, PHE 1, TYR 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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