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Ligand · HR8

HR8 · 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide

HR8, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide (C12 H16 Cl N O2, 241.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
HR8
Formula
C12 H16 Cl N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

HR8 in 3 structures; the first of them:

  • 5S5V · Tubulin-Z32386228-complex · HR8 B505 · binds VAL177, SER178, ASP179, TYR210, PRO222, THR223, TYR224, LEU227 and 4 more
  • 5S5V · Tubulin-Z32386228-complex · HR8 B505 · binds VAL177, SER178, ASP179, PRO222, THR223, TYR224, LEU227, LEU248 and 3 more
  • 6Q91 · Structure of human galactokinase 1 bound with 5-chloro-N-isobutyl-2- methoxybenzamide · HR8 A403 · binds LEU40, LEU213, SER214, ASP215, LEU218, ALA219, VAL220, LEU295 and 5 more

Residues it binds most

LEU 6, ASP 6, SER 6, TYR 6, VAL 5, ALA 3, GLY 4, PHE 4, PRO 2, GLN 3 (residue and the binding sites it lines).

Found with

  • ACP · Phosphomethylphosphonic acid adenylate ester
  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • HFK · 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
  • GAL · beta-D-galactopyranose

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