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Ligand · IV2

IV2 · 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine

IV2, 5-chloranyl-4-methyl-1,3-benzothiazol-2-amine (C8 H7 Cl N2 S, 198.7 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 it binds most and the…

Component
IV2
Formula
C8 H7 Cl N2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IV2 in 2 structures; the first of them:

  • 4CJV · Interrogating HIV integrase for compounds that bind- a SAMPL challenge · IV2 A1212 · binds TYR83, ASN184, HIS185, GLY197, GLU198, VAL201, ALA105, GLY106 and 5 more
  • 4CJV · Interrogating HIV integrase for compounds that bind- a sampl challenge · IV2 A1212 · binds TYR83, ASN184, HIS185, GLY197, GLU198, VAL201, ALA105, GLY106 and 5 more

Residues it binds most

GLY 4, ILE 4, ALA 4, ARG 4, ASN 4, GLU 4, HIS 4, PRO 4, TRP 4, TYR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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