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Ligand · YOJ

YOJ · 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl) methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid

YOJ, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl) methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid (C33 H25 F2 N7 O7 S2, 733.7 g/mol), in the…

Component
YOJ
Formula
C33 H25 F2 N7 O7 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

YOJ in 4 structures; the first of them:

  • 7M2N · Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 · YOJ A420 · binds ARG105, LEU106, LEU108, VAL109, ASN137, PRO138, VAL139, ASP140 and 15 more
  • 7M2O · Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 · YOJ A402 · binds TYR26, ALA81, MET82, SER109, TRP110, ALA111, THR112, SER113 and 15 more
  • 7M2N · Crystal structure of human lactate dehydrogenase a with inhibitor compound 15 · YOJ A420 · binds ARG105, LEU108, VAL109, ASN137, PRO138, VAL139, ASP140, ILE141 and 12 more
  • 7M2O · Crystal structure of human glycolate oxidase with inhibitor compound 15 · YOJ A402 · binds TYR26, ALA81, MET82, SER109, TRP110, ALA111, THR112, SER113 and 10 more

Residues it binds most

LEU 10, ILE 8, VAL 10, ARG 10, ASP 9, TYR 10, ALA 10, THR 10, HIS 10, GLU 9 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • FMN · Flavin mononucleotide
  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • SO4 · Sulfate ion
  • GOL · Glycerol

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