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Ligand · VHE

VHE · 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione

VHE, 4-amino-18,20-dimethyl-7-thia-3,5,11,15-tetraazatricyclo[15.3.1.1(2,6)]docosa-1(20),2,4,6(22),17(21),18-hexaene-10,16-dione (C19 H23 N5 O2 S, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
VHE
Formula
C19 H23 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VHE in 2 structures; the first of them:

  • 3VHD · Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 · VHE A1 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 8 more
  • 3VHD · HSP90 alpha N-terminal domain in complex with a macrocyclic inhibitor, CH5164840 · VHE A1 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 8 more

Residues it binds most

ASN 4, GLY 4, VAL 4, ALA 4, ASP 4, ILE 4, LEU 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

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