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Ligand · MM9

MM9 · (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide

MM9, (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide (C24 H36 N6 O3, 456.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
MM9
Formula
C24 H36 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

MM9 in 2 structures; the first of them:

  • 4BAM · Thrombin in complex with inhibitor · MM9 B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, ILE209, ASP229 and 13 more
  • 4BAM · Thrombin in complex with inhibitor · MM9 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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