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Ligand · HBT

HBT · (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

HBT, (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (C17 H17 N3 O4 S, 359.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
HBT
Formula
C17 H17 N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

HBT in 2 structures; the first of them:

  • 3HMV · Catalytic domain of human phosphodiesterase 4B2B in complex with a… · HBT A530 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, TYR403 and 11 more
  • 3HMV · Catalytic domain of human phosphodiesterase 4B2B in complex with a… · HBT A530 · binds TYR233, HIS234, THR345, MET347, ASP392, LEU393, ASN395, TYR403 and 11 more

Residues it binds most

MET 4, PHE 4, THR 4, TYR 4, ASN 4, ASP 4, GLN 4, HIS 4, ILE 4, LEU 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • GOL · Glycerol

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