GL1X · GenesisL1 explorer

Ligand · VHC

VHC · 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one

VHC, 4-amino-20,22-dimethyl-13-oxa-7-thia-3,5,17-triazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-18-one (C22 H22 N4 O2 S, 406.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
VHC
Formula
C22 H22 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VHC in 2 structures; the first of them:

  • 3VHC · Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor · VHC A1 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 10 more
  • 3VHC · HSP90 alpha N-terminal domain in complex with a macrocyclic inhibitor · VHC A1 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 10 more

Residues it binds most

ASN 2, ASP 2, GLY 2, LYS 2, VAL 2, ALA 2, ILE 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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