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Ligand · QQE

QQE · [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone

QQE, [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone (C24 H28 Cl N3 O5, 473.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
QQE
Formula
C24 H28 Cl N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

QQE in 2 structures; the first of them:

  • 6ZUX · Crystal Structure of Thrombin in complex with compound42a · QQE H1001 · binds HIS57, TYR60A, TRP60D, ASN98, LEU99, ILE174, ASP189, ALA190 and 14 more
  • 6ZUX · Crystal structure of thrombin in complex with COMPOUND42A · QQE H1001 · binds HIS57, TYR60A, TRP60D, ASN98, LEU99, ILE174, ASP189, ALA190 and 11 more

Residues it binds most

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

Found with

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

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