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Ligand · JUP

JUP · 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide

JUP, 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide (C28 H27 F3 N4 O2 S, 540.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
JUP
Formula
C28 H27 F3 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JUP in 2 structures; the first of them:

  • 4A4X · NEK2-EDE bound to CCT248662 · JUP A1280 · binds ILE14, GLY15, TYR19, CYS22, VAL35, LYS37, VAL68, MET86 and 12 more
  • 4A4X · NEK2-ede bound to CCT248662 · JUP A1280 · binds ILE14, GLY15, TYR19, CYS22, VAL35, LYS37, VAL68, MET86 and 12 more

Residues it binds most

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

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