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Ligand · QQK

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

QQK, [2-[[(1~{R})-1-(3-chlorophenyl)ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{R})-5-ethyl-2-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone (C26 H32 Cl N3 O5, 502.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
QQK
Formula
C26 H32 Cl N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

QQK in 2 structures; the first of them:

  • 6ZUW · Crystal Structure of Thrombin in complex with compound40 · QQK H1001 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 16 more
  • 6ZUW · Crystal structure of thrombin in complex with COMPOUND40 · QQK H1001 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 16 more

Residues it binds most

GLU 2, GLY 2, TRP 2, ASP 2, CYS 2, SER 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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