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Ligand · S9D

S9D · 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine

S9D, 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine (C13 H14 N4 O, 242.3 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 and…

Component
S9D
Formula
C13 H14 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

S9D in 2 structures; the first of them:

  • 5RAR · PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with TD000005c · S9D A1801 · binds MET1379, THR1380, SER1381, ASP1395, ASN1398, ASN1400, ASN1401, ILE1404
  • 5RAR · Pandda analysis group deposition -- crystal structure of JMJD1B in complex with TD000005C · S9D A1801 · binds MET1379, SER1381, ASP1395, ASN1398, ASN1400, ASN1401, ILE1404

Residues it binds most

ASN 2, ILE 4, LYS 2, ASP 2, GLU 2, HIS 2, MET 2, PRO 2, SER 2, THR 1 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • CL · Chloride ion

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