GL1X · GenesisL1 explorer

Ligand · 45S

45S · N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide

45S, N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide (C19 H23 Cl N4 O2, 374.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
45S
Formula
C19 H23 Cl N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

45S in 2 structures; the first of them:

  • 4YES · Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2… · 45S B704 · binds HIS406, TYR410, TRP413, LEU459, ILE542, ASP562, ALA563, CYS564 and 12 more
  • 4YES · Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2… · 45S B704 · binds HIS406, TYR410, TRP413, LEU459, ILE542, ASP562, ALA563, CYS564 and 12 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GOL · Glycerol

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