GL1X · GenesisL1 explorer

Ligand · V1F

V1F · 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide

V1F, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide (C21 H19 F3 N2 O4 S2, 484.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within…

Component
V1F
Formula
C21 H19 F3 N2 O4 S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

V1F in 6 structures; the first of them:

  • 4QJM · Crystal structure of human carbonic anhydrase isozyme II with inhibitor · V1F A302 · binds ASN62, HIS64, ASN67, ILE91, GLN92, HIS94, HIS96, GLU106 and 11 more
  • 4QJO · Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with… · V1F A303 · binds TRP4, ASN64, LYS69, THR88, GLN89, HIS91, HIS93, GLU104 and 12 more
  • 4QJP · Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor · V1F B303 · binds TRP7, SER64, HIS66, ASN69, GLN94, HIS96, HIS98, GLU108 and 12 more
  • 4QJM · Crystal structure of human carbonic anhydrase isozyme II with inhibitor · V1F A302 · binds ASN62, HIS64, ASN67, ILE91, GLN92, HIS94, HIS96, GLU106 and 11 more
  • 4QJO · Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with… · V1F A303 · binds TRP4, ASN64, LYS69, THR88, GLN89, HIS91, HIS93, GLU104 and 12 more
  • 4QJP · Crystal structure of human carbonic anhydrase isozyme xiii with inhibitor · V1F B303 · binds TRP7, SER64, HIS66, ASN69, GLN94, HIS96, HIS98, GLU108 and 12 more

Residues it binds most

HIS 14, SER 14, THR 14, VAL 14, PRO 14, TRP 14, LEU 14, ASN 14, GLN 14, GLU 14 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • BCN · Bicine
  • CIT · Citric acid
  • DMS · Dimethyl sulfoxide
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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