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Ligand · M6S

M6S · (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide

M6S, (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide (C23 H34 N6 O3, 442.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
M6S
Formula
C23 H34 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

M6S in 2 structures; the first of them:

  • 4BAN · Thrombin in complex with inhibitor · M6S B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 13 more
  • 4BAN · Thrombin in complex with inhibitor · M6S B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 13 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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