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Ligand · IBA

IBA · 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid

IBA, 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid (C18 H27 N3 O4, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
IBA
Formula
C18 H27 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

IBA in 2 structures; the first of them:

  • 1VCJ · Influenza B virus neuraminidase complexed with… · IBA A1 · binds ARG116, GLU117, LEU132, ASP149, ARG150, ARG154, TRP177, SER178 and 11 more
  • 1VCJ · Influenza B virus neuraminidase complexed with 1-(4-carboxy-2-(3… · IBA A1 · binds ARG116, GLU117, LEU132, ASP149, ARG150, ARG154, TRP177, SER178 and 11 more

Residues it binds most

ARG 2, GLU 2, TRP 2, ALA 2, ASN 2, ASP 2, ILE 2, LEU 2, SER 2, TYR 2 (residue and the binding sites it lines).

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