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Ligand · KI3

KI3 · 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol

KI3, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol (C15 H12 N2 O2 S, 284.3 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…

Component
KI3
Formula
C15 H12 N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KI3 in 2 structures; the first of them:

  • 5HS3 · Human thymidylate synthase complexed with dUMP and… · KI3 A401 · binds ARG50, GLU87, ILE108, TRP109, ASN112, LEU192, ASP218, LEU221 and 7 more
  • 5HS3 · Human thymidylate synthase complexed with dump and 3-amino-2-benzoyl… · KI3 A401 · binds ARG50, GLU87, ILE108, TRP109, ASN112, LEU192, ASP218, LEU221 and 7 more

Residues it binds most

ASN 6, LEU 6, PHE 6, ARG 6, ASP 6, GLU 6, GLY 6, ILE 6, TRP 6, TYR 6 (residue and the binding sites it lines).

Found with

  • UMP · 2'-deoxyuridine 5'-monophosphate

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