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Ligand · 40V

40V · N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

40V, N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide (C28 H32 N4 O5, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
40V
Formula
C28 H32 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

40V in 2 structures; the first of them:

  • 4XII · X-ray structure of human butyrylcholinesterase in complex with… · 40V A1001 · binds ASN68, ILE69, ASP70, TRP82, GLY115, GLY116, GLY117, THR120 and 13 more
  • 4XII · X-ray structure of human butyrylcholinesterase in complex with N-((1… · 40V A1001 · binds ASN68, ILE69, ASP70, TRP82, GLY115, GLY116, GLY117, THR120 and 13 more

Residues it binds most

GLY 4, SER 4, PHE 4, TRP 4, ALA 4, ASN 4, ASP 4, GLU 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • FUC · alpha-L-fucopyranose
  • FUL · beta-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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