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Ligand · XYY

XYY · (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid

XYY, (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid (C19 H21 Cl N4 O4 S, 436.9 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
XYY
Formula
C19 H21 Cl N4 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XYY in 1 structure; the first of them:

  • 5FNS · Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. · XYY A1614 · binds TYR334, SER363, GLY364, ARG415, ILE461, GLY462, PHE478, ARG483 and 9 more

Residues it binds most

GLY 1, SER 1, TYR 1, ARG 1, ALA 1, GLN 1, ILE 1, PHE 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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