GL1X · GenesisL1 explorer

Ligand · KGY

KGY · 4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-hydroxypiperidine-4-carboxamide

KGY, 4-({[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}methyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-hydroxypiperidine-4-carboxamide (C22 H27 N3 O8 S2, 525.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
KGY
Formula
C22 H27 N3 O8 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KGY in 2 structures; the first of them:

  • 2I47 · Crystal structure of catalytic domain of TACE with inhibitor · KGY C1001 · binds VAL314, LYS315, GLY346, THR347, LEU348, GLY349, LEU350, GLU398 and 12 more
  • 2I47 · Crystal structure of catalytic domain of tace with inhibitor · KGY C1001 · binds VAL314, LYS315, GLY346, THR347, LEU348, GLY349, LEU350, GLU398 and 12 more

Residues it binds most

VAL 4, HIS 4, LEU 4, GLU 4, GLY 4, ALA 4, ILE 4, LYS 4, PRO 4, THR 4 (residue and the binding sites it lines).

Found with

  • INN · N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide
  • ZN · Zinc ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.