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Ligand · 57J

57J · 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl) carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one

57J, 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl) carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one (C24 H25 N3 O3, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
57J
Formula
C24 H25 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

57J in 2 structures; the first of them:

  • 5CTB · Humanized yeast ACC carboxyltransferase domain bound to… · 57J A2301 · binds ALA1920, VAL1923, ARG1954, GLY1955, PHE1956, SER1957, GLY1958, GLY1959 and 6 more
  • 5CTB · Humanized yeast acc carboxyltransferase domain bound to 6,7-dimethyl… · 57J A2301 · binds ALA1920, VAL1923, ARG1954, GLY1955, PHE1956, SER1957, GLY1958, GLY1959 and 6 more

Residues it binds most

GLY 6, GLU 6, ALA 6, LEU 6, VAL 6, ARG 6, PHE 6, SER 6, LYS 4, THR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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