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Ligand · 5XS

5XS · methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate

5XS, methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate (C14 H11 N5 O3, 297.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
5XS
Formula
C14 H11 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5XS in 2 structures; the first of them:

  • 5H85 · Crystal structure of the bromodomain of human CREBBP in complex with UO37D · 5XS A1201 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 4 more
  • 5H85 · Crystal structure of the bromodomain of human crebbp in complex with UO37D · 5XS A1201 · binds LEU1109, PRO1110, PHE1111, GLN1113, VAL1115, LEU1120, ILE1122, TYR1125 and 4 more

Residues it binds most

LEU 2, TYR 2, VAL 2, ALA 2, ASN 2, GLN 2, ILE 2, PHE 2, PRO 2 (residue and the binding sites it lines).

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