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Ligand · 008

008 · (S)-2-[(R)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3, 4-tetrahydro-isoquinoline-3-carboxylic acid amide

008, (S)-2-[(R)-3-amino-4-(2-fluoro-phenyl)-butyryl]-1,2,3, 4-tetrahydro-isoquinoline-3-carboxylic acid amide (C20 H22 F N3 O2, 355.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
008
Formula
C20 H22 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

008 in 2 structures; the first of them:

  • 2BUC · Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a… · 008 A1767 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 8 more
  • 2BUC · Crystal structure of porcine dipeptidyl peptidase IV (CD26) in complex with a… · 008 A1767 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, ARG358, TYR547 and 8 more

Residues it binds most

TYR 8, VAL 8, ARG 8, GLU 8, SER 8, ASN 8, HIS 8, PHE 8, TRP 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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