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Ligand · 0BL

0BL · (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

0BL, (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (C22 H21 N3 O2 S, 391.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
0BL
Formula
C22 H21 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0BL in 2 structures; the first of them:

  • 7OQU · Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180 · 0BL A301 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, ASP215, ILE219
  • 7OQU · Ternary complex of 14-3-3 sigma, amot-P130 phosphopeptide, and WQ180 · 0BL A301 · binds GLU14, CSO38, GLU39, ASN42, LEU43, VAL46, ASP215, ILE219

Residues it binds most

GLU 2, ASN 2, ASP 2, CSO 2, ILE 2, LEU 2, VAL 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion

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