Reaction Details |
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Target | Carbonic anhydrase 2 |
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Ligand | BDBM13063 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_878776 (CHEMBL2183716) |
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Ki | 682±n/a nM |
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Citation | Marini, AM; Maresca, A; Aggarwal, M; Orlandini, E; Nencetti, S; Da Settimo, F; Salerno, S; Simorini, F; La Motta, C; Taliani, S; Nuti, E; Scozzafava, A; McKenna, R; Rossello, A; Supuran, CT Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms. J Med Chem55:9619-29 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 2 |
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Name: | Carbonic anhydrase 2 |
Synonyms: | β-Carbonic anhydrase 2 (CA 2) | Carbonic anhydrase | MTCA2_MYCTU | canB | cynT | mtcA2 |
Type: | Enzyme |
Mol. Mass.: | 21788.97 |
Organism: | Mycobacterium tuberculosis |
Description: | P9WPJ9 |
Residue: | 207 |
Sequence: | MPNTNPVAAWKALKEGNERFVAGRPQHPSQSVDHRAGLAAGQKPTAVIFGCADSRVAAEI
IFDQGLGDMFVVRTAGHVIDSAVLGSIEYAVTVLNVPLIVVLGHDSCGAVNAALAAINDG
TLPGGYVRDVVERVAPSVLLGRRDGLSRVDEFEQRHVHETVAILMARSSAISERIAGGSL
AIVGVTYQLDDGRAVLRDHIGNIGEEV
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BDBM13063 |
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n/a |
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Name | BDBM13063 |
Synonyms: | 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide | Bextra | CHEMBL865 | VLX | Valdecoxib | cid_119607 |
Type | Small organic molecule |
Emp. Form. | C16H14N2O3S |
Mol. Mass. | 314.359 |
SMILES | Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 |
Structure |
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