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9 similar compounds to monomer 10880

Compile data set for download or QSAR
Wt: 268.3
BDBM11049
Wt: 264.3
BDBM16668
Wt: 251.2
BDBM50079068
Wt: 251.2
BDBM50080730
Wt: 237.2
BDBM50080659
Wt: 320.3
BDBM50157949
Wt: 236.2
BDBM50331833
Wt: 250.2
BDBM50331834
Purchase
Wt: 250.2
BDBM50331835

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 11049,16668,50079068,50080730,50080659,50157949,50331833,50331834,50331835   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50157949
PNG
(2-(4-Methyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES CN1CCN(CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C9H16N6O3S2/c1-14-2-4-15(5-3-14)6-7(16)11-8-12-13-9(19-8)20(10,17)18/h2-6H2,1H3,(H2,10,17,18)(H,11,12,16)
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1.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase II


Bioorg Med Chem Lett 11: 575-82 (2001)


Article DOI: 10.1016/s0960-894x(00)00722-8
BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 10: 1117-20 (2000)


Article DOI: 10.1016/s0960-894x(00)00178-5
BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II (hCA II,cytosolic form).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II (CA2)


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11049
PNG
(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-sulfanylpr...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCS)s1
Show InChI InChI=1S/C5H8N4O3S3/c6-15(11,12)5-9-8-4(14-5)7-3(10)1-2-13/h13H,1-2H2,(H2,6,11,12)(H,7,8,10)
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3.60n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1534-8 (2013)


Article DOI: 10.1016/j.bmc.2012.07.024
BindingDB Entry DOI: 10.7270/Q2VQ3463
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080730
PNG
(2-Methylamino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-y...)
Show SMILES CNCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c1-7-2-3(11)8-4-9-10-5(14-4)15(6,12)13/h7H,2H2,1H3,(H2,6,12,13)(H,8,9,11)
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50080659
PNG
(2-Amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-ace...)
Show SMILES NCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N5O3S2/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12/h1,5H2,(H2,6,11,12)(H,7,8,10)
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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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9n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human Carbonic anhydrase II


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11049
PNG
(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-sulfanylpr...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCS)s1
Show InChI InChI=1S/C5H8N4O3S3/c6-15(11,12)5-9-8-4(14-5)7-3(10)1-2-13/h13H,1-2H2,(H2,6,11,12)(H,7,8,10)
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9.10n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50157949
PNG
(2-(4-Methyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES CN1CCN(CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C9H16N6O3S2/c1-14-2-4-15(5-3-14)6-7(16)11-8-12-13-9(19-8)20(10,17)18/h2-6H2,1H3,(H2,10,17,18)(H,11,12,16)
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9.60n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM11049
PNG
(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-sulfanylpr...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCS)s1
Show InChI InChI=1S/C5H8N4O3S3/c6-15(11,12)5-9-8-4(14-5)7-3(10)1-2-13/h13H,1-2H2,(H2,6,11,12)(H,7,8,10)
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17 -10.5n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 5544-51 (2006)


Article DOI: 10.1021/jm060531j
BindingDB Entry DOI: 10.7270/Q21J9805
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50157949
PNG
(2-(4-Methyl-piperazin-1-yl)-N-(5-sulfamoyl-[1,3,4]...)
Show SMILES CN1CCN(CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC1
Show InChI InChI=1S/C9H16N6O3S2/c1-14-2-4-15(5-3-14)6-7(16)11-8-12-13-9(19-8)20(10,17)18/h2-6H2,1H3,(H2,10,17,18)(H,11,12,16)
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31n/an/an/an/an/an/an/an/a



Harran University

Curated by ChEMBL


Assay Description
Inhibitory potency against catalytic domain of human Carbonic anhydrase IX expressed in Escherichia coli strain BL21


Bioorg Med Chem Lett 15: 367-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.070
BindingDB Entry DOI: 10.7270/Q2B858WB
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080730
PNG
(2-Methylamino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-y...)
Show SMILES CNCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c1-7-2-3(11)8-4-9-10-5(14-4)15(6,12)13/h7H,2H2,1H3,(H2,6,12,13)(H,8,9,11)
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39n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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46n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on bovine Carbonic anhydrase IV


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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54n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080659
PNG
(2-Amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-ace...)
Show SMILES NCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N5O3S2/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12/h1,5H2,(H2,6,11,12)(H,7,8,10)
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55n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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110n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibitory effect on human carbonic anhydrase I


J Med Chem 45: 312-20 (2002)


Article DOI: 10.1021/jm0109199
BindingDB Entry DOI: 10.7270/Q2ZP46TZ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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125n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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125n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV).


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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125n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Bioorg Med Chem Lett 11: 575-82 (2001)


Article DOI: 10.1016/s0960-894x(00)00722-8
BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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125n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)


Article DOI: 10.1016/s0960-894x(00)00178-5
BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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125n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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125n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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185n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50080730
PNG
(2-Methylamino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-y...)
Show SMILES CNCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c1-7-2-3(11)8-4-9-10-5(14-4)15(6,12)13/h7H,2H2,1H3,(H2,6,12,13)(H,8,9,11)
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305n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50080659
PNG
(2-Amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-ace...)
Show SMILES NCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N5O3S2/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12/h1,5H2,(H2,6,11,12)(H,7,8,10)
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350n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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455n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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455n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase I


J Med Chem 45: 1466-76 (2002)


Article DOI: 10.1021/jm0108202
BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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455n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human cloned Carbonic anhydrase I (hCA I,cytosolic form)


J Med Chem 42: 2641-50 (1999)


Article DOI: 10.1021/jm9900523
BindingDB Entry DOI: 10.7270/Q2J67HMK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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455n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase I


Bioorg Med Chem Lett 11: 575-82 (2001)


Article DOI: 10.1016/s0960-894x(00)00722-8
BindingDB Entry DOI: 10.7270/Q2KW5GJQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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455n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I (CAI)


Bioorg Med Chem Lett 10: 1117-20 (2000)


Article DOI: 10.1016/s0960-894x(00)00178-5
BindingDB Entry DOI: 10.7270/Q2WW7J6M
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50079068
PNG
(3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-pro...)
Show SMILES NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H9N5O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2,6H2,(H2,7,12,13)(H,8,9,11)
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455n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I (CA1)


J Med Chem 43: 292-300 (2000)


Article DOI: 10.1021/jm990479+
BindingDB Entry DOI: 10.7270/Q22806T7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM16668
PNG
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
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645n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 6


(Bos taurus)
BDBM50080659
PNG
(2-Amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-ace...)
Show SMILES NCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H7N5O3S2/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12/h1,5H2,(H2,6,11,12)(H,7,8,10)
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte


Citation and Details
More data for this
Ligand-Target Pair
Chitinase (chiA1)


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM50331833
PNG
(5-propylamido-2-sulfamoyl-1,3,4-thiadiazole | CHEM...)
Show SMILES CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
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n/an/a 3.15E+5n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Chitinase (chiA1)


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM50331834
PNG
(5-butyramido-2-sulfamoyl-1,3,4-thiadiazole | CHEMB...)
Show SMILES CCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Chitinase (chiA1)


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM50331835
PNG
(5-(2-methyl-propylamido)-2-sulfamoyl-1,3,4-thiadia...)
Show SMILES CC(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins


Bioorg Med Chem 18: 8334-40 (2010)


Article DOI: 10.1016/j.bmc.2010.09.062
BindingDB Entry DOI: 10.7270/Q2NZ87WR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)