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TargetCarbonic anhydrase
LigandBDBM50258680
Substrate/Competitorn/a
Meas. Tech.ChEMBL_519732 (CHEMBL938995)
Ki 74±n/a nM
Citation Güzel, OMaresca, AScozzafava, ASalman, ABalaban, ATSupuran, 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
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:
BDBM50258680
n/a
NameBDBM50258680
Synonyms:1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(3-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL467898
TypeSmall organic molecule
Emp. Form.C23H22BrN4O3S
Mol. Mass.514.414
SMILESCc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1
Structure
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