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Ligand · WXH

WXH · (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

WXH, (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (C19 H17 F3 N4 O S, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
WXH
Formula
C19 H17 F3 N4 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

WXH in 1 structure; the first of them:

  • 8SV9 · Crystal structure of ULK1 kinase domain with inhibitor MR-2088 · WXH A301 · binds ILE22, GLY23, HIS24, GLY25, ALA28, VAL30, ALA44, LYS46 and 14 more

Residues it binds most

GLY 2, ALA 2, ASN 2, VAL 2, GLU 2, ASP 2, CYS 2, HIS 2, ILE 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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