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Ligand · KBU

KBU · 4-chloro-1H-benzimidazole

KBU, 4-chloro-1H-benzimidazole (C7 H5 Cl N2, 152.6 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
KBU
Formula
C7 H5 Cl N2
Class
ligand
Structures
3
PDB entries
3

Binding sites

KBU in 3 structures; the first of them:

  • 7GAS · PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with… · KBU A201 · binds ILE35, PHE52, LEU53, VAL54, LEU63, ILE66, ILE67, ARG70
  • 7H7O · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · KBU A208 · binds MET9, ASP10, ILE11, GLY32, VAL33, ALA36, CYS143, ARG144
  • 7HKN · Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA… · KBU A1012 · binds GLU379, TRP380, LYS383, VAL648

Residues it binds most

ARG 7, ASP 6, CYS 6, ILE 4, MET 6, VAL 5, ALA 3, GLY 3, TYR 3, LEU 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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