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Ligand · QQN

QQN · [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone

QQN, [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone (C22 H24 Cl N3 O4, 429.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
QQN
Formula
C22 H24 Cl N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

QQN in 2 structures; the first of them:

  • 6ZUU · Crystal structure of Thrombin in complex with compound30 · QQN H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 6ZUU · Crystal structure of thrombin in complex with COMPOUND30 · QQN H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLY 2, CYS 2, GLU 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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