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TargetCarbonic anhydrase
LigandBDBM50339596
Substrate/Competitorn/a
Meas. Tech.ChEMBL_736722 (CHEMBL1695103)
Ki 890±n/a nM
Citation Davis, RAHofmann, AOsman, AHall, RAMühlschlegel, FAVullo, DInnocenti, ASupuran, CTPoulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem54:1682-92 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50339596
n/a
NameBDBM50339596
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
TypeSmall organic molecule
Emp. Form.C20H24O4
Mol. Mass.328.4022
SMILESCOc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|
Structure
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