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Ligand · MVF

MVF · (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide

MVF, (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide (C22 H32 N6 O3, 428.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
MVF
Formula
C22 H32 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

MVF in 2 structures; the first of them:

  • 4BAO · Thrombin in complex with inhibitor · MVF B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 12 more
  • 4BAO · Thrombin in complex with inhibitor · MVF B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 12 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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