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Ligand · 88N

88N · {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid

88N, {4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid (C25 H27 N3 O6 S, 497.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
88N
Formula
C25 H27 N3 O6 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

88N in 4 structures; the first of them:

  • 4AJO · rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl)… · 88N A1332 · binds VAL25, GLY26, VAL27, GLY28, ALA29, VAL30, VAL50, ASP51 and 19 more
  • 4AJP · Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol… · 88N A1332 · binds VAL25, GLY26, VAL27, GLY28, ALA29, VAL30, VAL50, ASP51 and 20 more
  • 4AJO · Rat ldha in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6YL)… · 88N A1332 · binds VAL25, GLY26, VAL27, GLY28, ALA29, VAL30, VAL50, ASP51 and 19 more
  • 4AJP · Human ldha in complex with 2-((4-(4-((3-((2-methyl-1,3… · 88N A1332 · binds VAL25, GLY26, VAL27, GLY28, ALA29, VAL30, VAL50, ASP51 and 20 more

Residues it binds most

VAL 16, ARG 16, GLY 16, ILE 16, ALA 16, THR 16, ASN 16, ASP 16, GLN 16, HIS 16 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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