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Ligand · X44

X44 · 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide

X44, 4-{[4-amino-5-(4-sulfamoylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide (C16 H15 N5 O5 S3, 453.5 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
X44
Formula
C16 H15 N5 O5 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

X44 in 2 structures; the first of them:

  • 3QTU · CDK2 in complex with inhibitor RC-2-132 · X44 A451 · binds ILE10, GLY13, THR14, VAL18, ALA31, LYS33, VAL64, PHE80 and 12 more
  • 3QTU · CDK2 in complex with inhibitor rc-2-132 · X44 A451 · binds ILE10, GLY13, THR14, VAL18, ALA31, LYS33, VAL64, PHE80 and 12 more

Residues it binds most

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

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