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Ligand · 942

942 · N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzamide

942, N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzamide (C16 H20 N4 O3, 316.4 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
942
Formula
C16 H20 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

942 in 2 structures; the first of them:

  • 4B42 · Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor · 942 A1294 · binds SER41, THR42, LEU45, TYR113, TYR114, GLY115, PHE118, LYS249 and 6 more
  • 4B42 · Pseudomonas aeruginosa rmla in complex with allosteric inhibitor · 942 A1294 · binds SER41, THR42, LEU45, TYR113, TYR114, GLY115, PHE118, LYS249 and 6 more

Residues it binds most

TYR 8, ALA 8, ARG 8, GLN 8, GLU 8, GLY 8, ILE 8, LEU 8, LYS 8, PHE 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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