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TargetCarbonic anhydrase 9
LigandBDBM50005002
Substrate/Competitorn/a
Meas. Tech.ChEMBL_965224 (CHEMBL2394009)
IC50 3.1±n/a nM
Citation Wang, LYang, CLu, WLiu, LGao, RLiao, SZhao, ZZhu, LXu, YLi, HHuang, JZhu, W Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening. Bioorg Med Chem Lett23:3496-9 (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:
BDBM50005002
n/a
NameBDBM50005002
Synonyms:CHEMBL2392424
TypeSmall organic molecule
Emp. Form.C20H15FN4O4S
Mol. Mass.426.421
SMILESNS(=O)(=O)c1ccc(cc1)-n1cccc1\C=C1\C(=O)NN(C1=O)c1ccc(F)cc1
Structure
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