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Ligand · XNB

XNB · N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine

XNB, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine (C21 H26 N8 S, 422.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
XNB
Formula
C21 H26 N8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XNB in 2 structures; the first of them:

  • 3Q92 · X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1 · XNB A301 · binds ASN107, ALA224, ALA226, GLU227, GLY229, ALA230, ALA244, PHE245 and 12 more
  • 3Q92 · X-ray structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1 · XNB A301 · binds ASN107, ALA224, ALA226, GLU227, GLY229, ALA230, ALA244, PHE245 and 12 more

Residues it binds most

ALA 4, GLY 4, CYS 4, PHE 4, PRO 4, GLU 4, THR 4, VAL 4, ASN 2, ASP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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