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Ligand · O0P

O0P · N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide

O0P, N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide (C8 H11 F N2 O2 S, 218.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
O0P
Formula
C8 H11 F N2 O2 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

O0P in 3 structures; the first of them:

  • 5QSC · Pandda analysis group deposition -- crystal structure of human brachyury G177D variant in… · O0P A301 · binds GLU48, GLU50, LEU51, ARG54, TYR210
  • 5RY4 · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · O0P A901 · binds LYS477, THR478, VAL479, GLU498, ILE501, SER502, ILE504
  • 5RZC · EPB41L3 pandda analysis group deposition -- crystal structure of the ferm domain of human… · O0P A401 · binds TRP334, VAL337, LEU338, LYS339, ILE340, TRP377, CYS380, VAL381 and 1 more

Residues it binds most

GLU 3, ILE 2, LEU 3, VAL 2, LYS 2, TRP 1, ARG 1, CYS 1, HIS 1, SER 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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