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Ligand · FMQ

FMQ · [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol

FMQ, [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol (C11 H11 F N2 O, 206.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
FMQ
Formula
C11 H11 F N2 O
Class
ligand
Structures
5
PDB entries
3

Binding sites

FMQ in 5 structures; the first of them:

  • 3VQE · HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol · FMQ A1006 · binds ASN184, HIS185, ARG187, SER195, GLY197, GLU198, VAL201, PRO109 and 2 more
  • 4IFV · Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic… · FMQ A602 · binds VAL467, LEU469, LYS476, GLN480, TYR483, LEU484, GLU516, LEU517 and 1 more
  • 8DXI · HIV-1 reverse transcriptase/rilpivirine with bound fragment… · FMQ A609 · binds MET230, GLY231, GLN242, PRO243, ILE244, LYS263, TRP266
  • 3VQE · HIV-1 in core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H… · FMQ A1006 · binds ASN184, HIS185, ARG187, SER195, GLY197, GLU198, VAL201, PRO109 and 2 more
  • 4IFV · Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic… · FMQ A602 · binds VAL467, LEU469, LYS476, GLN480, TYR483, LEU484, GLU516, LEU517 and 1 more

Residues it binds most

ILE 8, THR 3, GLU 9, PRO 8, TRP 4, LEU 2, VAL 6, GLN 3, GLY 5, LYS 5 (residue and the binding sites it lines).

Found with

  • T27 · 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • CD · Cadmium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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