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TargetCarbonic anhydrase 9
LigandBDBM50428381
Substrate/Competitorn/a
Meas. Tech.ChEMBL_942103 (CHEMBL2340801)
Ki 700±n/a nM
Citation Carta, FVullo, DMaresca, AScozzafava, ASupuran, CT Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. Bioorg Med Chem21:1564-9 (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:
BDBM50428381
n/a
NameBDBM50428381
Synonyms:CHEMBL2333961
TypeSmall organic molecule
Emp. Form.C14H15ClNO
Mol. Mass.248.727
SMILESCc1cc(C)[n+](c(C)c1)-c1cc(O)ccc1Cl |(71.56,-44.69,;72.9,-45.46,;74.23,-44.69,;75.56,-45.45,;76.89,-44.68,;75.57,-47,;74.23,-47.78,;74.23,-49.32,;72.9,-47.01,;76.9,-47.77,;78.22,-47,;79.56,-47.76,;80.89,-46.98,;79.56,-49.31,;78.23,-50.08,;76.9,-49.31,;75.56,-50.08,)|
Structure
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