GL1X · GenesisL1 explorer

Ligand · QQW

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

QQW, [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{R},5~{R})-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
QQW
Formula
C24 H28 Cl N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

QQW in 2 structures; the first of them:

  • 6ZV7 · Crystal Structure of Thrombin in complex with compound42b · QQW H302 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 15 more
  • 6ZV7 · Crystal structure of thrombin in complex with COMPOUND42B · QQW H302 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 15 more

Residues it binds most

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

Found with

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

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