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Ligand · 1VT

1VT · N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide

1VT, N-benzyl-2-[(N-benzyl-beta-alanyl)amino]-4-phenylthiophene-3-carboxamide (C28 H27 N3 O2 S, 469.6 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…

Component
1VT
Formula
C28 H27 N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1VT in 2 structures; the first of them:

  • 4LAP · Endothiapepsin in complex with thiophen-based inhibitor SAP114 · 1VT A401 · binds ILE10, ASP15, ALA16, ASP33, ASP35, TYR79, GLY80, ASP81 and 13 more
  • 4LAP · Endothiapepsin in complex with thiophen-based inhibitor SAP114 · 1VT A401 · binds ILE10, ASP15, ALA16, ASP33, ASP35, TYR79, GLY80, ASP81 and 13 more

Residues it binds most

ASP 2, ILE 2, GLY 2, THR 2, TYR 2, ALA 2, LEU 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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