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Ligand · 1RV

1RV · 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide

1RV, 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide (C9 H9 N5 O2 S2, 283.3 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
1RV
Formula
C9 H9 N5 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1RV in 2 structures; the first of them:

  • 4KLB · Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 · 1RV A301 · binds GLY23, CYS25, TRP26, GLY65, GLY66, LEU67, ALA138, LEU160 and 3 more
  • 4KLB · Crystal structure of cruzain in complex with the non-covalent inhibitor NEQUIMED176 · 1RV A301 · binds GLY23, CYS25, TRP26, GLY65, GLY66, LEU67, ALA138, LEU160 and 3 more

Residues it binds most

GLY 6, ASP 6, LEU 6, THR 4, ALA 6, CYS 6, HIS 6, TRP 6, ASN 4, SER 4 (residue and the binding sites it lines).

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