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Ligand · 9YA

9YA · 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid

9YA, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid (C30 H26 N4 O4 S2, 570.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
9YA
Formula
C30 H26 N4 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9YA in 2 structures; the first of them:

  • 5W8L · Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and… · 9YA A402 · binds ARG105, LEU106, LEU108, VAL109, ASN137, PRO138, VAL139, ASP140 and 15 more
  • 5W8L · Crystal structure of lactate dehydrogenase a in complex with inhibitor compound 59 and… · 9YA A402 · binds ARG105, LEU106, LEU108, VAL109, ASN137, PRO138, VAL139, ASP140 and 15 more

Residues it binds most

LEU 8, ILE 8, VAL 8, ARG 8, ASP 8, GLU 8, ALA 8, ASN 8, GLY 8, HIS 8 (residue and the binding sites it lines).

Found with

  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • EDO · 1,2-ethanediol

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