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Ligand · 100

100 · 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone

100, 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone (C12 H8 Cl N5 O2, 289.7 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 residues…

Component
100
Formula
C12 H8 Cl N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

100 in 2 structures; the first of them:

  • 1QS4 · Core domain of HIV-1 integrase complexed with Mg++ and… · 100 A1004 · binds ASP64, THR66, ASP116, GLN148, ILE151, GLU152, ASN155, LYS156 and 1 more
  • 1QS4 · Core domain of HIV-1 integrase complexed with mg++ and 1-(5… · 100 A1004 · binds ASP64, THR66, ASP116, GLN148, ILE151, GLU152, ASN155, LYS156 and 1 more

Residues it binds most

ASP 2, LYS 2, ASN 2, GLN 2, GLU 2, ILE 2, THR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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