GL1X · GenesisL1 explorer

Ligand · QQT

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

QQT, [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S}, 5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone (C24 H27 Cl F N3 O5, 491.9 g/mol), in the MolNFT structures on GenesisL1…

Component
QQT
Formula
C24 H27 Cl F N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

QQT in 2 structures; the first of them:

  • 6ZV8 · Crystal Structure of Thrombin in complex with compound51 · QQT H1001 · binds HIS57, TYR60A, PRO60C, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 16 more
  • 6ZV8 · Crystal structure of thrombin in complex with COMPOUND51 · QQT H1001 · binds HIS57, TYR60A, PRO60C, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 16 more

Residues it binds most

GLY 2, ASP 2, CYS 2, GLU 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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