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Ligand · IT5

IT5 · 4-cyano-4-phenylpiperidine-1-carbodithioic acid

IT5, 4-cyano-4-phenylpiperidine-1-carbodithioic acid (C13 H14 N2 S2, 262.4 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…

Component
IT5
Formula
C13 H14 N2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IT5 in 2 structures; the first of them:

  • 3P5L · Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate · IT5 A263 · binds ASN62, ASN67, GLN92, HIS94, HIS96, HIS119, VAL121, PHE131 and 6 more
  • 3P5L · Human carbonic anhydrase complexed with sodium 4-cyano-4… · IT5 A263 · binds ASN62, ASN67, GLN92, HIS94, HIS96, HIS119, VAL121, PHE131 and 6 more

Residues it binds most

HIS 2, VAL 2, ASN 2, THR 2, GLN 2, LEU 2, PHE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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