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Ligand · QQ5

QQ5 · [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone

QQ5, [2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-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
QQ5
Formula
C22 H24 Cl N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

QQ5 in 2 structures; the first of them:

  • 6ZUN · Crystal Structure of Thrombin in complex with compound20a · QQ5 H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 6ZUN · Crystal structure of thrombin in complex with COMPOUND20A · QQ5 H1001 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 11 more

Residues it binds most

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