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Ligand · WYI

WYI · (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate

WYI, (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate (C27 H36 N10 O3, 548.6 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
WYI
Formula
C27 H36 N10 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

WYI in 1 structure; the first of them:

  • 8EWA · Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase… · WYI A400 · binds HIS124, GLY125, THR128, THR129, THR189, ASN190, ASP192, CYS226 and 4 more

Residues it binds most

THR 2, ASN 2, HIS 2, ASP 2, LEU 2, CYS 2, GLY 2, TYR 2, ALA 1, ILE 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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