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Ligand · NN6

NN6 · ~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2, 4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide

NN6, ~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2, 4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide (C17 H14 F4 N4 O, 366.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
NN6
Formula
C17 H14 F4 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

NN6 in 2 structures; the first of them:

  • 7UM4 · Crystal structure of inactive 5-HT5AR in complex with AS2674723 · NN6 A1607 · binds SER97, GLU101, TRP117, ASP121, VAL122, CYS125, THR126, GLN193 and 14 more
  • 7UM4 · Crystal structure of inactive 5-HT5AR in complex with AS2674723 · NN6 A1607 · binds GLU101, TRP117, ASP121, VAL122, CYS125, THR126, VAL194, SER195 and 11 more

Residues it binds most

SER 2, ALA 2, GLU 2, PHE 2, THR 2, TYR 2, VAL 2, ARG 2, ASP 2, CYS 2 (residue and the binding sites it lines).

Found with

  • 1PE · Pentaethylene glycol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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