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Ligand · 7JC

7JC · 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene) quinazoline-6-sulfonamide

7JC, 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene) quinazoline-6-sulfonamide (C18 H20 N4 O4 S2, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
7JC
Formula
C18 H20 N4 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

7JC in 2 structures; the first of them:

  • 6HMK · Polyadpribosyl glycohydrolase in complex with PDD00016690 · 7JC A1008 · binds THR725, ILE726, GLU727, PHE738, GLN754, ILE757, ARG758, ILE761 and 7 more
  • 6HMK · Polyadpribosyl glycohydrolase in complex with PDD00016690 · 7JC A1008 · binds THR725, ILE726, GLU727, GLN754, ILE757, ARG758, TYR792, TYR795 and 5 more

Residues it binds most

ILE 2, THR 2, TYR 2, PHE 2, ARG 2, ASN 2, ASP 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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