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TargetCarbonic anhydrase
LigandBDBM50339598
Substrate/Competitorn/a
Meas. Tech.ChEMBL_736722 (CHEMBL1695103)
Ki 970±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:
BDBM50339598
n/a
NameBDBM50339598
Synonyms:2-(3-chloro-4-hydroxyphenyl)-N-phenethylacetamide | CHEMBL601464
TypeSmall organic molecule
Emp. Form.C16H16ClNO2
Mol. Mass.289.757
SMILESOc1ccc(CC(=O)NCCc2ccccc2)cc1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: