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Ligand · JDR

JDR · 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide

JDR, 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide (C13 H13 Cl N4 O3 S2, 372.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
JDR
Formula
C13 H13 Cl N4 O3 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JDR in 2 structures; the first of them:

  • 3M5E · Crystal structure of human carbonic anhydrase isozyme II with… · JDR A264 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 9 more
  • 3M5E · Crystal structure of human carbonic anhydrase isozyme II with 4-{[N… · JDR A264 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 9 more

Residues it binds most

HIS 2, VAL 2, LEU 2, THR 2, GLN 2, GLU 2, ILE 2, PHE 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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