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Ligand · 1GI

1GI · 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid

1GI, 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid (C26 H22 Cl N5 O2 S, 504.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
1GI
Formula
C26 H22 Cl N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1GI in 2 structures; the first of them:

  • 7NA1 · HDM2 in complex with compound 2 · 1GI A201 · binds LEU54, LEU57, GLY58, ILE61, TYR67, PHE86, PHE91, VAL93 and 8 more
  • 7NA1 · HDM2 in complex with compound 2 · 1GI A201 · binds LEU54, LEU57, GLY58, ILE61, TYR67, VAL93, LYS94, HIS96 and 3 more

Residues it binds most

ILE 4, LEU 4, TYR 4, GLY 4, HIS 4, LYS 4, PHE 2, VAL 4, MET 3, GLN 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • CIT · Citric acid
  • GOL · Glycerol

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