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Ligand · HFK

HFK · 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one

HFK, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one (C20 H22 N4 O2, 350.4 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (13 PDB entries). Every binding site with its residues…

Component
HFK
Formula
C20 H22 N4 O2
Class
ligand
Structures
18
PDB entries
13

Binding sites

HFK in 18 structures; the first of them:

  • 6Q3W · Structure of human galactokinase 1 bound with Ethyl… · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 9 more
  • 6Q90 · Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 9 more
  • 6QJE · Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]meth… · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 9 more
  • 6ZGV · Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetami… · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 9 more
  • 6ZGW · Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl… · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 9 more
  • 6Q3W · Structure of human galactokinase 1 bound with ethyl 1-(2-pyrazinyl)-4… · HFK A402 · binds THR61, THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109 and 8 more
  • 6Q3X · Structure of human galactokinase in complex with galactose and 2'… · HFK A405 · binds THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109, VAL129 and 6 more
  • 6Q8Z · Structure of human galactokinase 1 bound with N-(cyclobutylmethyl)-1… · HFK A402 · binds THR61, THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109 and 8 more
  • 6Q90 · Structure of human galactokinase 1 bound with 1-(4-methoxyphenyl)-3- (4-PYRIDINYL)UREA · HFK A402 · binds THR61, THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109 and 8 more
  • 6Q91 · Structure of human galactokinase 1 bound with 5-chloro-N-isobutyl-2- methoxybenzamide · HFK A402 · binds THR61, THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109 and 7 more
  • 6QJE · Structure of human galactokinase 1 bound with 4-{[2-(methylsulfonyl)… · HFK A402 · binds THR61, THR77, SER79, GLY81, ASP83, TRP106, TYR109, VAL129 and 7 more
  • 6ZGV · Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N… · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 8 more
  • 6ZGW · Structure of human galactokinase 1 bound with (4-CHLOROPHENYL)METHYL… · HFK A402 · binds THR61, THR77, SER79, GLY81, ASP83, ARG105, TRP106, TYR109 and 7 more
  • 6ZGX · Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N… · HFK A402 · binds THR61, THR77, SER79, GLY81, ALA82, ASP83, ARG105, TRP106 and 8 more

Residues it binds most

SER 53, LEU 53, THR 52, GLY 52, ARG 53, TRP 53, TYR 53, VAL 53, ASP 51, ALA 19 (residue and the binding sites it lines).

Found with

  • GAL · beta-D-galactopyranose
  • HGE · ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
  • J4Q · 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
  • JHJ · N-(4-methoxyphenyl)-N'-pyridin-4-ylurea
  • QKW · (4-chlorophenyl)methyl pyridine-3-carboxylate
  • QKZ · 2-(4-chlorophenyl)-~{N}-pyrimidin-2-yl-ethanamide
  • SO4 · Sulfate ion
  • HR5 · ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
  • HR8 · 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide
  • QL5 · (2,5-dimethylphenyl) pyridine-4-carboxylate
  • S6V · 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
  • SSY · ~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide

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