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Ligand · 7NQ

7NQ · ~{N}-(4-ethoxyquinazolin-2-yl)propanamide

7NQ, ~{N}-(4-ethoxyquinazolin-2-yl)propanamide (C13 H15 N3 O2, 245.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
7NQ
Formula
C13 H15 N3 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

7NQ in 6 structures; the first of them:

  • 5MI4 · BtGH84 mutant with covalent modification by MA3 · 7NQ A801 · binds TYR137, ASP243, ARG347, CYS550
  • 5MI5 · BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc · 7NQ A802 · binds TYR137, ASP344, ARG347, PRO549, CYS550
  • 5MI6 · BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G · 7NQ A802 · binds TYR137, GLY138, ASP243, ASP344, TYR345, ARG347, CYS550
  • 5MI4 · BTGH84 mutant with covalent modification by MA3 · 7NQ A801 · binds TYR137, ASP243, ARG347, CYS550
  • 5MI5 · BTGH84 mutant with covalent modification by MA3 in complex with pugnac · 7NQ A802 · binds TYR137, ASP344, PRO549, CYS550
  • 5MI6 · BTGH84 mutant with covalent modification by MA3 in complex with thiamet G · 7NQ A802 · binds TYR137, ASP344, TYR345, ARG347, CYS550

Residues it binds most

TYR 6, ASP 6, CYS 6, ARG 5, PRO 2, GLY 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • NHT · (3ar,5r,6s,7r,7ar)-2-(ethylamino)-5-(hydroxymethyl)-5, 6,7,7A-tetrahydro-3AH-pyrano[3,2-d][1,3]thiazole-6,7-diol
  • OAN · O-(2-acetamido-2-deoxy D-glucopyranosylidene) amino-N-phenylcarbamate

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