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Ligand · QD6

QD6 · (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid

QD6, (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid (C26 H29 Cl N4 O3, 481.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB…

Component
QD6
Formula
C26 H29 Cl N4 O3
Class
ligand
Structures
3
PDB entries
3

Binding sites

QD6 in 3 structures; the first of them:

  • 8D3S · HIV-1 Integrase Catalytic Core Domain F185H Mutant Complexed with BKC-110 · QD6 A301 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178
  • 8T52 · HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110 · QD6 A301 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178
  • 8T5B · HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric… · QD6 A301 · binds GLN168, ALA169, GLU170, HIS171, LYS173, THR174, MET178, GLN95 and 12 more

Residues it binds most

ALA 4, THR 4, GLN 4, LYS 4, GLU 4, HIS 4, MET 4, TRP 2, TYR 2, ILE 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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