GL1X · GenesisL1 explorer

Ligand · VHA

VHA · 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine

VHA, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine (C21 H21 N3 O2 S, 379.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
VHA
Formula
C21 H21 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

VHA in 2 structures; the first of them:

  • 3VHA · Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor · VHA A237 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 7 more
  • 3VHA · HSP90 alpha N-terminal domain in complex with a macrocyclic inhibitor · VHA A237 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 7 more

Residues it binds most

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

Found with

  • MES · 2-(N-morpholino)-ethanesulfonic acid

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