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Ligand · M41

M41 · N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

M41, N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide (C25 H33 Cl N4 O4 S, 521.1 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…

Component
M41
Formula
C25 H33 Cl N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

M41 in 2 structures; the first of them:

  • 3RMN · Human Thrombin in complex with MI341 · M41 H1 · binds HIS57, TYR60A, TRP60D, LEU99, GLU146, ILE174, ASP189, ALA190 and 14 more
  • 3RMN · Human thrombin in complex with MI341 · M41 H1 · binds HIS57, TYR60A, TRP60D, LEU99, GLU146, ILE174, ASP189, ALA190 and 14 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • GOL · Glycerol

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