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Ligand · U6B

U6B · 4-azanyl-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide

U6B, 4-azanyl-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]oxane-4-carboxamide (C22 H24 N4 O2, 376.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
U6B
Formula
C22 H24 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

U6B in 2 structures; the first of them:

  • 4CDE · Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4… · U6B B1368 · binds ASP1, THR2, PRO3, TYR64, GLN228, GLY232, CYS234, TYR235 and 9 more
  • 4CDE · Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4… · U6B B1368 · binds ASP1, THR2, PRO3, TYR64, GLN228, GLY232, CYS234, TYR235 and 9 more

Residues it binds most

GLY 4, ALA 4, THR 4, TYR 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, HIS 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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