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Ligand · GH4

GH4 · 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile

GH4, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile (C21 H19 F N4 O3, 394.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
GH4
Formula
C21 H19 F N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

GH4 in 2 structures; the first of them:

  • 5MQY · CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropy… · GH4 A301 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLY61, GLU63 and 12 more
  • 5MQY · Cathepsin L in complex with 4-[1,3-benzodioxol-5-YLMETHYL(2… · GH4 A301 · binds GLN19, GLY23, SER24, CYS25, GLY61, GLU63, ASN66, GLY67 and 10 more

Residues it binds most

GLY 2, ALA 2, MET 2, CYS 2, ASN 2, ASP 2, GLN 2, GLU 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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