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Ligand · 06B

06B · 3-bromo-2,6-dimethoxybenzoic acid

06B, 3-bromo-2,6-dimethoxybenzoic acid (C9 H9 Br O4, 261.1 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 the ligands found…

Component
06B
Formula
C9 H9 Br O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

06B in 2 structures; the first of them:

  • 4K4Q · TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap… · 06B B102 · binds TRP42, PRO44, LYS45, MET46, LYS55, VAL56, ARG57
  • 4K4Q · Tl-3 inhibited TRP6ALA HIV protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap… · 06B B102 · binds TRP42, PRO44, LYS45, MET46, LYS55, VAL56, ARG57

Residues it binds most

ARG 6, PRO 6, GLY 4, LYS 2, PHE 4, VAL 4, MET 2, TRP 2 (residue and the binding sites it lines).

Found with

  • 3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
  • NO3 · Nitrate ion
  • BME · Beta-mercaptoethanol
  • DMS · Dimethyl sulfoxide

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