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Ligand · 483

483 · 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide

483, 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide (C12 H19 N3 O, 221.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
483
Formula
C12 H19 N3 O
Class
ligand
Structures
4
PDB entries
3

Binding sites

483 in 4 structures; the first of them:

  • 5RON · PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag… · 483 A1002 · binds HIS69, LEU96, GLY100, SER132, LEU133, GLY134, GLY135, GLY160 and 2 more
  • 5RON · Pandda analysis group deposition -- proteinase K changed state model for fragment frag… · 483 A1002 · binds HIS69, LEU96, GLY100, SER132, LEU133, GLY134, GLY135, GLY160 and 2 more
  • 7ADG · Cocktail experiment G: fragments 216 and 338 at 90 mm concentration in complex with… · 483 A401 · binds ASP15, ASP81, GLY221, THR222, THR223
  • 7PE0 · Crystal structure of ipgc in complex with J52 · 483 A202 · binds LYS101, ASN102, TYR104, HIS133, ASN135, ALA94, PHE97, VAL107 and 4 more

Residues it binds most

GLY 5, LEU 3, TYR 5, SER 2, HIS 3, THR 2, ARG 2, ASN 1, ASP 1, PRO 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • 8NE · [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium
  • MG · Magnesium ion
  • CL · Chloride ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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