Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50038939 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10888
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10888
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10888
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| MMDB PDB Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299580
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299578
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299580
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299573
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299581
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299574
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299579
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299580
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299581
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299576
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299578
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299577
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299574
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299582
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299577
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299575
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299582
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299581
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299579
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50299582
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299575
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299575
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299573
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299576
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299573
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299580
((2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-sulfamoyltetra...)Show SMILES NS(=O)(=O)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r| Show InChI InChI=1S/C6H11NO8S/c7-16(13,14)6-3(10)1(8)2(9)4(15-6)5(11)12/h1-4,6,8-10H,(H,11,12)(H2,7,13,14)/t1-,2-,3+,4-,6-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299579
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299576
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299577
((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299573
((2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11-,12+,13-,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50299576
((1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-4-...)Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| Show InChI InChI=1S/C26H37NO19S/c1-10(28)37-8-17-19(39-12(3)30)21(40-13(4)31)23(42-15(6)33)25(44-17)46-20-18(9-38-11(2)29)45-26(47(27,35)36)24(43-16(7)34)22(20)41-14(5)32/h17-26H,8-9H2,1-7H3,(H2,27,35,36)/t17-,18-,19+,20-,21+,22+,23-,24-,25+,26+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299578
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299575
((2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-sulfamoylte...)Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C13H19NO11S/c1-5(15)22-8-9(23-6(2)16)11(24-7(3)17)13(26(14,19)20)25-10(8)12(18)21-4/h8-11,13H,1-4H3,(H2,14,19,20)/t8-,9-,10-,11+,13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299574
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299574
((2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-sulfamoyltetr...)Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C14H21NO11S/c1-6(16)22-5-10-11(23-7(2)17)12(24-8(3)18)13(25-9(4)19)14(26-10)27(15,20)21/h10-14H,5H2,1-4H3,(H2,15,20,21)/t10-,11+,12+,13-,14+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299581
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299579
((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50299582
((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 4.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50299578
((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl...)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human cloned CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 6421-32 (2009)
Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 |
More data for this Ligand-Target Pair | 3D Structure (docked) |