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Ligand · NN8

NN8 · [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NN8, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone (C23 H22 N2 O5, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
NN8
Formula
C23 H22 N2 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

NN8 in 2 structures; the first of them:

  • 6TMP · Rapid optimisation of fragments and hits to lead compounds from screening of crude… · NN8 AAA402 · binds LEU244, ASN247, ALA248, ARG250, ALA251, GLU254, SER255, ASP282 and 11 more
  • 6TMZ · Rapid optimisation of fragments and hits to lead compounds from screening of crude… · NN8 AAA403 · binds LEU244, ASN247, ALA248, ARG250, ALA251, GLU254, SER255, ASP282 and 11 more

Residues it binds most

ALA 2, GLY 2, LEU 2, SER 2, ARG 2, ASN 2, ASP 2, GLU 2, LYS 2, PRO 2 (residue and the binding sites it lines).

Found with

  • TF3 · N-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl) oxy]phenyl} acetamide
  • MG · Magnesium ion

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