null

SMILES: Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=VGMVBPQOACUDRU-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer. 12 PDB IDs contain this monomer as substructures. 12 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 169 hits for monomerid = 10868   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	1.15E+4	-6.62	n/a	n/a	n/a	n/a	n/a	8.3	20
Kochi Medical School					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 52: 2226-32 (2009) Article DOI: 10.1021/jm9000488 BindingDB Entry DOI: 10.7270/Q24Q7SBR
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay				Bioorg Med Chem 15: 7229-36 (2007) Article DOI: 10.1016/j.bmc.2007.08.037 BindingDB Entry DOI: 10.7270/Q2TH8NJ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 3 after 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 20: 4376-81 (2010) Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	2.00E+6	n/a	1.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
Atatürk University					Assay Description The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...				Chem Biol Drug Des 76: 552-8 (2010) Article DOI: 10.1111/j.1747-0285.2010.01036.x BindingDB Entry DOI: 10.7270/Q2Q52N3T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description Carbonic anhydrase (CA) activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The Ki values were determined as described in the literature [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzyme I...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The Ki values were determined as described in the literature [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzyme I...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description Carbonic anhydrase (CA) activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al...				J Enzyme Inhib Med Chem 26: 231-7 (2011) Article DOI: 10.3109/14756366.2010.491795 BindingDB Entry DOI: 10.7270/Q2DZ0754
					More data for this Ligand-Target Pair				3D Structure (crystal)