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TargetCarbonic anhydrase 9
LigandBDBM50300203
Substrate/Competitorn/a
Meas. Tech.ChEMBL_939843 (CHEMBL2329436)
Ki 54500±n/a nM
Citation Tars, K; Vullo, D; Kazaks, A; Leitans, J; Lends, A; Grandane, A; Zalubovskis, R; Scozzafava, A; Supuran, CT Sulfocoumarins (1,2-benzoxathiine-2,2-dioxides): a class of potent and isoform-selective inhibitors of tumor-associated carbonic anhydrases. J Med Chem56:293-300 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrase 9
Name:Carbonic anhydrase 9
Synonyms:CA-IX | CA9 | CAH9_HUMAN | 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) | Carbonic anhydrases IX | Carbonic anhydrases; II & IX | G250 | MN | 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:
BDBM50300203
n/a
NameBDBM50300203
Synonyms:(S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | 6-(1S-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one | CHEMBL572366
TypeSmall organic molecule
Emp. Form.C15H18O4
Mol. Mass.262.301
SMILESCOc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: