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Ligand · I13

I13 · 1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea

I13, 1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea (C20 H24 Cl N5 O4, 433.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
I13
Formula
C20 H24 Cl N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

I13 in 2 structures; the first of them:

  • 4RV8 · Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase… · I13 A501 · binds SER164, ALA165, HIS166, ASN191, GLY212, ILE213, OCS219, THR221 and 13 more
  • 4RV8 · Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase… · I13 A501 · binds SER164, ALA165, HIS166, ASN191, GLY212, ILE213, OCS219, THR221 and 13 more

Residues it binds most

GLY 8, SER 8, MET 8, PRO 8, VAL 8, ALA 8, ASN 8, GLU 8, HIS 8, LEU 8 (residue and the binding sites it lines).

Found with

  • IMP · Inosinic acid
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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