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Ligand · 2I5

2I5 · 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

2I5, 1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one (C21 H22 Br N9 O2, 512.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
2I5
Formula
C21 H22 Br N9 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2I5 in 2 structures; the first of them:

  • 7OVK · Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl-substituted pyrazolopyrimidine · 2I5 A502 · binds MET142, GLY143, VAL150, ALA163, LYS165, ILE179, ASP182, LEU183 and 12 more
  • 7OVK · Protein kinase MKK7 in complex with 5-bromo-2-hydroxyphenyl- substituted… · 2I5 A502 · binds MET142, GLY143, ALA163, LYS165, ASP182, LEU183, VAL196, MET212 and 7 more

Residues it binds most

LEU 2, MET 2, ASP 2, VAL 2, LYS 2, ALA 2, CYS 2, GLU 2, GLY 2, ILE 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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