Reaction Details |
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Target | Carbonic anhydrase |
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Ligand | BDBM50258678 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_519732 (CHEMBL938995) |
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Ki | 77±n/a nM |
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Citation | Güzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem52:4063-7 (2009) [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 |
Synonyms: | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) |
Type: | PROTEIN |
Mol. Mass.: | 80567.22 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_878775 |
Residue: | 764 |
Sequence: | MTIPRSQHMSTAVNSCTEAPASRSQWMLANLRHDVPASLVVFLVALPLSLGIAIASGAPI
IAGVIAAVVGGIVAGAVGGSPVQVSGPAAGLTVVVAELIDELGWPMLCLMTIAAGALQIV
FGLSRMARAALAIAPVVVHAMLAGIGITIALQQIHVLLGGTSHSSAWRNIVALPDGILHH
ELHEVIVGGTVIAILLMWSKLPAKVRIIPGPLVAIAGATVLALLPVLQTERIDLQGNFFD
AIGLPKLAEMSPGGQPWSHEISAIALGVLTIALIASVESLLSAVGVDKLHHGPRTDFNRE
MVGQGSANVVSGLLGGLPITGVIVRSSANVAAGARTRMSTILHGVWILLFASLFTNLVEL
IPKAALAGLLIVIGAQLVKLAHIKLAWRTGNFVIYAITIVCVVFLNLLEGVAIGLVVAIV
FLLVRVVRAPVEVKPVGGEQSKRWRVDIDGTLSFLLLPRLTTVLSKLPEGSEVTLNLNAD
YIDDSVSEAISDWRRAHETRGGVVAIVETSPAKLHHAHARPPKRHFASDPIGLVPWRSAR
GKDRGSASVLDRIDEYHRNGAAVLHPHIAGLTDSQDPYELFLTCADSRILPNVITASGPG
DLYTVRNLGNLVPTDPDDRSVDAALDFAVNQLGVSSVVVCGHSSCAAMTALLEDDPANTT
TPMMRWLENAHDSLVVFRNHHPARRSAESAGYPEADQLSIVNVAVQVERLTRHPILATAV
AAADLQVIGIFFDISTARVYEVGPNGIICPDEPADRPVDHESAQ
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BDBM50258678 |
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n/a |
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Name | BDBM50258678 |
Synonyms: | 1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(4-fluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL513854 |
Type | Small organic molecule |
Emp. Form. | C23H22ClN4O3S |
Mol. Mass. | 469.963 |
SMILES | Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1 |
Structure |
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