Reaction Details |
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Target | Carbonic anhydrase |
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Ligand | BDBM50339596 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_736722 (CHEMBL1695103) |
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Ki | 890±n/a nM |
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Citation | Davis, RA; Hofmann, A; Osman, A; Hall, RA; Mühlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem54:1682-92 (2011) [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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BDBM50339596 |
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n/a |
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Name | BDBM50339596 |
Synonyms: | 4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol) | 8beta,8'beta-dimethyl-7alpha,7'alpha-bis(3-methoxy-4-hydroxyphenyl)cyclobutane | CHEMBL517222 | endiandrin B |
Type | Small organic molecule |
Emp. Form. | C20H24O4 |
Mol. Mass. | 328.4022 |
SMILES | COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r| |
Structure |
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