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Ligand · I7B

I7B · 4-amino-6-chlorobenzene-1,3-disulfonamide

I7B, 4-amino-6-chlorobenzene-1,3-disulfonamide (C6 H8 Cl N3 O4 S2, 285.7 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
I7B
Formula
C6 H8 Cl N3 O4 S2
Class
ligand
Structures
3
PDB entries
2

Binding sites

I7B in 3 structures; the first of them:

  • 7NML · Galectin-1 in complex with 4-Amino-6-chloro-1,3-benzenedisulfonamide · I7B B201 · binds PRO13, ASP92, GLN93, ALA94
  • 8AKG · Human Sirt6 in complex with ADP-ribose and fragment… · I7B A413 · binds ALA53, SER56, ILE61, PRO62, ASP63, PHE64, VAL70, PHE82 and 6 more
  • 7NML · Galectin-1 in complex with 4-amino-6-chloro-1,3-benzenedisulfonamide · I7B B201 · binds PRO13, ASP92, GLN93, ALA94

Residues it binds most

ASP 4, PHE 2, ALA 4, MET 2, PRO 4, VAL 2, ASN 2, GLN 2, ILE 2, SER 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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