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Ligand · M67

M67 · (2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide

M67, (2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]azetidine-2-carboxamide (C25 H38 N6 O3, 470.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
M67
Formula
C25 H38 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

M67 in 2 structures; the first of them:

  • 4BAK · Thrombin in complex with inhibitor · M67 B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, GLU182, ILE209 and 14 more
  • 4BAK · Thrombin in complex with inhibitor · M67 B1287 · binds HIS79, TYR83, TRP86, GLU130, ASN131, LEU132, GLU182, ILE209 and 14 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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