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Ligand · VSA

VSA · 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea

VSA, 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea (C24 H24 N6 O, 412.5 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…

Component
VSA
Formula
C24 H24 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VSA in 2 structures; the first of them:

  • 3VS1 · Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor… · VSA A602 · binds LEU273, GLY274, VAL281, ALA293, LYS295, PHE307, ALA311, MET314 and 15 more
  • 3VS1 · Crystal structure of hck complexed with a pyrrolo-pyrimidine inhibitor… · VSA A602 · binds LEU273, GLY274, VAL281, ALA293, LYS295, PHE307, ALA311, MET314 and 15 more

Residues it binds most

LEU 4, ALA 4, GLY 4, ASP 4, MET 4, PHE 4, VAL 4, GLU 4, ILE 4, LYS 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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