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Ligand · OOS

OOS · (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide

OOS, (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide (C30 H36 N6 O2, 512.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
OOS
Formula
C30 H36 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

OOS in 2 structures; the first of them:

  • 5H0E · Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor… · OOS A601 · binds LEU273, GLY274, ALA275, VAL281, ALA293, LYS295, MET314, VAL323 and 14 more
  • 5H0E · Crystal structure of hck complexed with a pyrrolo-pyrimidine inhibitor… · OOS A601 · binds LEU273, GLY274, ALA275, VAL281, ALA293, LYS295, MET314, VAL323 and 14 more

Residues it binds most

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

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