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Ligand · 3I6

3I6 · 4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide

3I6, 4-((5-bromo-4-(prop-2-yn-1-ylamino)pyrimidin-2-yl)amino)benzenesulfonamide (C13 H16 Br N5 O3 S, 402.3 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…

Component
3I6
Formula
C13 H16 Br N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3I6 in 2 structures; the first of them:

  • 4BGH · Crystal Structure of CDK2 in complex with pan-CDK Inhibitor · 3I6 A1001 · binds ILE10, GLY11, VAL18, ALA31, VAL64, PHE80, GLU81, PHE82 and 10 more
  • 4BGH · Crystal structure of CDK2 in complex with pan-cdk inhibitor · 3I6 A1001 · binds ILE10, GLY11, VAL18, ALA31, VAL64, PHE80, GLU81, PHE82 and 10 more

Residues it binds most

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

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