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Ligand · NNB

NNB · O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate

NNB, O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate (C17 H13 Br N2 O3 S, 405.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
NNB
Formula
C17 H13 Br N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NNB in 2 structures; the first of them:

  • 2VG6 · Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate… · NNB A1551 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 7 more
  • 2VG6 · Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate… · NNB A1551 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 7 more

Residues it binds most

TYR 2, LEU 2, LYS 2, PRO 2, VAL 2, GLU 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

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