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Ligand · V1D

V1D · N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide

V1D, N-[(1S)-1-[4-(2-fluorophenyl)-1H-imidazol-2-yl]-7,7-dihydroxy-7-(1,2-oxazol-3-yl)heptyl]-1-methylazetidine-3-carboxamide (C24 H30 F N5 O4, 471.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
V1D
Formula
C24 H30 F N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

V1D in 2 structures; the first of them:

  • 6XDM · Structure of human HDAC2 in complex with an aryl ketone inhibitor · V1D A411 · binds GLY28, HIS29, PRO30, MET31, GLU99, ASP100, GLY139, LEU140 and 13 more
  • 6XDM · Structure of human HDAC2 in complex with an aryl ketone inhibitor · V1D A411 · binds GLY28, HIS29, PRO30, MET31, GLU99, ASP100, GLY139, LEU140 and 13 more

Residues it binds most

GLY 6, HIS 6, ASP 6, LEU 6, PHE 6, CYS 6, GLU 6, MET 6, PRO 6, TYR 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether

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