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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