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Ligand · TEK

TEK · ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide

TEK, ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide (C11 H13 N3 O, 203.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
TEK
Formula
C11 H13 N3 O
Class
ligand
Structures
5
PDB entries
4

Binding sites

TEK in 5 structures; the first of them:

  • 7BDG · Notum Fragment 934 · TEK A508 · binds TRP128, TYR129, SER232, ALA233, THR236, PHE268, PRO287, PHE319 and 4 more
  • 7H3J · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · TEK A201 · binds THR52, ARG115
  • 7HKI · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · TEK A1011 · binds MET804, THR805, THR806, GLU807
  • 8PLQ · Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 27. · TEK B602 · binds TYR138, ASN225, ALA226, LYS227, THR239, ASP240, LYS241, GLN243
  • 7BDG · Notum fragment 934 · TEK A508 · binds TRP128, SER232, ALA233, THR236, PHE268, PHE319, PHE320, ALA342 and 1 more

Residues it binds most

PHE 2, THR 5, ALA 3, GLN 2, LYS 1, SER 2, TRP 2, TYR 2, VAL 2, ARG 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • FAD · Flavin-adenine dinucleotide
  • PO4 · Phosphate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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