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Ligand · V90

V90 · 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide

V90, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide (C16 H23 F3 N2 O3 S2, 412.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues…

Component
V90
Formula
C16 H23 F3 N2 O3 S2
Class
ligand
Structures
4
PDB entries
4

Binding sites

V90 in 4 structures; the first of them:

  • 5OGJ · Crystal structure of human carbonic anhydrase isozyme xiii with 2… · V90 B308 · binds ARG93, GLN94, HIS96, VAL123, PHE133, VAL134, ALA137, HIS138 and 3 more
  • 6FE0 · Three dimensional structure of human carbonic anhydrase IX in complex with… · V90 A302 · binds ASN62, HIS64, GLN67, GLN92, HIS94, HIS96, GLU106, HIS119 and 5 more
  • 6ROF · Human carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)… · V90 A304 · binds TYR7, ASN62, HIS64, ASN67, GLN92, HIS94, HIS96, GLU106 and 6 more
  • 7NZR · Crystal structure of chimeric carbonic anhydrase va with 2… · V90 A303 · binds THR62, TYR64, LEU65, GLN67, LYS91, GLN92, HIS94, HIS96 and 8 more

Residues it binds most

HIS 8, VAL 8, GLN 8, LEU 8, THR 6, ASN 5, GLU 5, PHE 3, TYR 2, ALA 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • BCN · Bicine
  • NA · Sodium ion
  • ACT · Acetate ion
  • CIT · Citric acid
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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