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Ligand · 0VV

0VV · N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide

0VV, N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide (C8 H10 N4 O2 S, 226.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
0VV
Formula
C8 H10 N4 O2 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

0VV in 2 structures; the first of them:

  • 6SDH · Human carbonic anhydrase II in complex with an inhibitor soaked at a concentration of 5 mm · 0VV A305 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU198, THR199 and 4 more
  • 6SDI · Human carbonic anhydrase II in complex with an inhibitor soaked at a concentration of… · 0VV A305 · binds GLN92, HIS94, HIS96, HIS119, VAL121, PHE131, LEU198, THR199 and 4 more

Residues it binds most

HIS 2, PRO 2, THR 2, GLN 2, LEU 2, PHE 2, TRP 2, VAL 2 (residue and the binding sites it lines).

Found with

  • BE7 · (4-carboxyphenyl)(chloro)mercury
  • HG · Mercury (II) ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide

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