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Ligand · RQ1

RQ1 · 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid

RQ1, 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid (C22 H21 N3 O3, 375.4 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…

Component
RQ1
Formula
C22 H21 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

RQ1 in 2 structures; the first of them:

  • 6VV9 · Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 · RQ1 A202 · binds ARG23, ASP27, GLN28, PHE31, ARG32, THR46, LEU50, PRO51 and 5 more
  • 6VV9 · Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 · RQ1 A202 · binds ARG23, GLN28, PHE31, ARG32, LEU50, PRO51, VAL54, LEU57 and 2 more

Residues it binds most

ARG 4, ILE 4, LEU 4, GLN 4, PHE 4, PRO 2, VAL 3, THR 2, ASP 1, TYR 1 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • CO · Cobalt (II) ion
  • PO4 · Phosphate ion

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