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Ligand · 0BW

0BW · methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate

0BW, methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate (C21 H25 N3 O4, 383.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
0BW
Formula
C21 H25 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

0BW in 2 structures; the first of them:

  • 3UR4 · Crystal structure of human WD repeat domain 5 with compound · 0BW A1000 · binds ALA47, VAL48, SER49, SER50, SER64, ALA65, GLY89, ILE90 and 11 more
  • 3UR4 · Crystal structure of human wd repeat domain 5 with compound · 0BW A1000 · binds ALA47, VAL48, SER49, SER50, SER64, ALA65, GLY89, ILE90 and 11 more

Residues it binds most

SER 4, ALA 4, ASP 4, ILE 4, PHE 4, CYS 4, GLY 4, LEU 4, PRO 4, TYR 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • UNX · Unknown atom or ion
  • EDO · 1,2-ethanediol

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