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Literature summary for 4.2.1.1 extracted from

  • Gitto, R.; Agnello, S.; Ferro, S.; De Luca, L.; Vullo, D.; Brynda, J.; Mader, P.; Supuran, C.T.; Chimirri, A.
    Identification of 3,4-dihydroisoquinoline-2(1H)-sulfonamides as potent carbonic anhydrase inhibitors: synthesis, biological evaluation, and enzyme--ligand X-ray studies (2010), J. Med. Chem., 53, 2401-2408.
    View publication on PubMed
Search for more literature for 4.2.1.1

Crystallization (Commentary)

Crystallization (Comment) Organism
isoform CA II in complex with 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, hanging drop vapor diffusion method, using 2.5 M (NH4)2SO4, 0.3 M NaCl, 100 mM Tris-Cl, pH 8.2 Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
1-cyclopentyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
1-cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
1-n-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
6,7-dimethoxy-1-ethyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
6,7-dimethoxy-1-isopropyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
-
 Homo sapiens
acetazolamide
-
 Homo sapiens
topiramate
-
 Homo sapiens
zonisamide
-
 Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Homo sapiens P00918
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
CO2 + H2O
-
 Homo sapiens H2CO3
-
 r

Synonyms

Synonyms Comment Organism
CA I isoform Homo sapiens
CA II isoform Homo sapiens
CA IX isoform Homo sapiens
CA XIV isoform Homo sapiens
carbonic anhydrase
-
 Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000047
-
 1-cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000051
-
 zonisamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000055
-
 1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000006
-
 3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000061
-
 1-cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000064
-
 1-n-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000085
-
 1-n-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000094
-
 6,7-dimethoxy-1-ethyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000095
-
 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000096
-
 6,7-dimethoxy-1-ethyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000098
-
 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00001
-
 topiramate isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000012
-
 acetazolamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000025
-
 acetazolamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000328
-
 3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000035
-
 zonisamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000037
-
 3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000041
-
 acetazolamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000056
-
 zonisamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000058
-
 topiramate isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000763
-
 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000873
-
 6,7-dimethoxy-1-ethyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0000945
-
 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0001
-
 1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000105
-
 1-cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000178
-
 1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00025
-
 acetazolamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00025
-
 topiramate isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.000302
-
 6,7-dimethoxy-1-isopropyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00033
-
 6,7-dimethoxy-1-isopropyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0004
-
 1-cyclopentyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00065
-
 1-cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00082
-
 1-n-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00146
-
 topiramate isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00151
-
 3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00165
-
 1-cyclopentyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00182
-
 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.001975
-
 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.002754
-
 6,7-dimethoxy-1-propyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0028
-
 6,7-dimethoxy-1-ethyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00315
-
 6,7-dimethoxy-1-isopropyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00378
-
 1-cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00386
-
 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00395
-
 1-n-butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0041
-
 1-cyclopentyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00525
-
 zonisamide isoform CA XIV, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00641
-
 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00844
-
 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA IX, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.00898
-
 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA I, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.0157
-
 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.235
-
 6,7-dimethoxy-1-isopropyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens
0.35
-
 1-cyclopentyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide isoform CA II, in 10-20 mM HEPES (pH 7.5) or Tris (pH 8.3) as buffers and 20 mM Na2SO4 or 20 mM NaClO4, at 22°C Homo sapiens