| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase |
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| Ligand | BDBM13063 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_878775 (CHEMBL2183715) |
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| Ki | 7810±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 |
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| Name: | Carbonic anhydrase |
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| Synonyms: | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) |
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| Type: | PROTEIN |
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| Mol. Mass.: | 80567.22 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_878775 |
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| Residue: | 764 |
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| Sequence: | MTIPRSQHMSTAVNSCTEAPASRSQWMLANLRHDVPASLVVFLVALPLSLGIAIASGAPI
IAGVIAAVVGGIVAGAVGGSPVQVSGPAAGLTVVVAELIDELGWPMLCLMTIAAGALQIV
FGLSRMARAALAIAPVVVHAMLAGIGITIALQQIHVLLGGTSHSSAWRNIVALPDGILHH
ELHEVIVGGTVIAILLMWSKLPAKVRIIPGPLVAIAGATVLALLPVLQTERIDLQGNFFD
AIGLPKLAEMSPGGQPWSHEISAIALGVLTIALIASVESLLSAVGVDKLHHGPRTDFNRE
MVGQGSANVVSGLLGGLPITGVIVRSSANVAAGARTRMSTILHGVWILLFASLFTNLVEL
IPKAALAGLLIVIGAQLVKLAHIKLAWRTGNFVIYAITIVCVVFLNLLEGVAIGLVVAIV
FLLVRVVRAPVEVKPVGGEQSKRWRVDIDGTLSFLLLPRLTTVLSKLPEGSEVTLNLNAD
YIDDSVSEAISDWRRAHETRGGVVAIVETSPAKLHHAHARPPKRHFASDPIGLVPWRSAR
GKDRGSASVLDRIDEYHRNGAAVLHPHIAGLTDSQDPYELFLTCADSRILPNVITASGPG
DLYTVRNLGNLVPTDPDDRSVDAALDFAVNQLGVSSVVVCGHSSCAAMTALLEDDPANTT
TPMMRWLENAHDSLVVFRNHHPARRSAESAGYPEADQLSIVNVAVQVERLTRHPILATAV
AAADLQVIGIFFDISTARVYEVGPNGIICPDEPADRPVDHESAQ
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| BDBM13063 |
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| n/a |
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| Name | BDBM13063 |
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| Synonyms: | 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide | Bextra | CHEMBL865 | VLX | Valdecoxib | cid_119607 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H14N2O3S |
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| Mol. Mass. | 314.359 |
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| SMILES | Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 |
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| Structure | 
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