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Ligand · QPW

QPW · 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide

QPW, 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide (C24 H28 Cl N3 O4, 458.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
QPW
Formula
C24 H28 Cl N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

QPW in 2 structures; the first of them:

  • 6ZUG · Crystal Structure of Thrombin in complex with compound10 · QPW H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 6ZUG · Crystal structure of thrombin in complex with COMPOUND10 · QPW H1001 · binds HIS57, TYR60A, TRP60D, ASN98, LEU99, ILE174, ASP189, ALA190 and 13 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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