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Ligand · R8W

R8W · 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid

R8W, 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid (C21 H20 N4 O2, 360.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
R8W
Formula
C21 H20 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

R8W in 2 structures; the first of them:

  • 7AEZ · Crystal structure of the metallo-beta-lactamase NDM-7 with 407 · R8W A301 · binds MET67, PHE70, VAL73, TRP93, HIS122, GLN123, ASP124, HIS189 and 10 more
  • 7AEZ · Crystal structure of the metallo-beta-lactamase ndm-7 with 407 · R8W A301 · binds MET67, PHE70, TRP93, HIS122, GLN123, ASP124, HIS189, CYS208 and 7 more

Residues it binds most

HIS 2, ASP 2, SER 2, ALA 2, ASN 2, CYS 2, GLN 2, GLY 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • ETX · 2-ethoxyethanol
  • NA · Sodium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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