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TargetCarbonic anhydrase 9
LigandBDBM50144819
Substrate/Competitorn/a
Meas. Tech.ChEMBL_495459
Ki 0.8±n/a nM
Citation Thiry, ALedecq, MCecchi, AFrederick, RDogné, JMSupuran, CTWouters, JMasereel, B Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors. Bioorg Med Chem17:553-7 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 9
Name:Carbonic anhydrases; II & IX
Synonyms:CA-IX | Carbonate dehydratase IX | Carbonic anhydrase 9 (CA IX) | Carbonic anhydrase 9 (CAIX) | Carbonic anhydrase 9 precursor | Carbonic anhydrase IX (CA IX) | Carbonic anhydrase IX (CAIX) | Membrane antigen MN | RCC-associated antigen G250
Type:Enzyme
Mol. Mass.:49669.03
Organism:Homo sapiens (Human)
Description:Catalytic domain of human cloned isozyme was used in the assay
Residue:459
Sequence:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPL
GEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPG
DPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPL
ELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHT
VEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIA
EEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLS
DTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVF
GLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50144819
NameBDBM50144819
Synonyms:2,3,5,6-Tetrafluoro-N-(3-sulfamoyl-phenyl)-benzamide | 2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide | CHEMBL76956
TypeSmall organic molecule
Emp. Form.C13H8F4N2O3S
Mol. Mass.348.273
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a