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Ligand · P78

P78 · 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea

P78, 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea (C24 H27 N3 O4 S2, 485.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
P78
Formula
C24 H27 N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

P78 in 2 structures; the first of them:

  • 3P78 · P38 inhibitor-bound · P78 A362 · binds VAL38, ALA51, VAL52, LYS53, ARG67, ARG70, GLU71, LEU74 and 15 more
  • 3P78 · P38 inhibitor-bound · P78 A362 · binds VAL38, ALA51, VAL52, LYS53, ARG67, ARG70, GLU71, LEU74 and 15 more

Residues it binds most

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

Found with

  • BOG · octyl beta-D-glucopyranoside

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