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Ligand · XMS

XMS · (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid

XMS, (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid (C16 H14 Cl N3 O2, 315.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
XMS
Formula
C16 H14 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XMS in 2 structures; the first of them:

  • 5FNR · Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. · XMS A1614 · binds GLY364, ARG415, ILE461, GLY462, PHE478, ARG483, SER508, GLY509 and 6 more
  • 5FNR · Structure of the KEAP1 kelch domain in complex with a small molecule inhibitor. · XMS A1614 · binds GLY364, ARG415, ILE461, GLY462, PHE478, ARG483, SER508, GLY509 and 6 more

Residues it binds most

GLY 2, ARG 2, SER 2, TYR 2, ALA 2, GLN 2, ILE 2, PHE 2 (residue and the binding sites it lines).

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