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Target
Carbonic anhydrase 9
Ligand
BDBM11030
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
37.5±n/a nM
Citation
 Thiry, A; Ledecq, M; Cecchi, A; Dogne, JM; Wouters, J; Supuran, CT; Masereel, B Indanesulfonamides as carbonic anhydrase inhibitors. Toward structure-based design of selective inhibitors of the tumor-associated isozyme CA IX. J Med Chem 49:2743-9 (2006) [PubMed]  Article 
Target
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:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
  
Inhibitor
Name:
BDBM11030
Synonyms:
1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)pentanamide | CHEMBL204941 | Indanesulfonamide Derivative 11a
Type:
Small organic molecule
Emp. Form.:
C17H26N2O3S
Mol. Mass.:
338.465
SMILES:
CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
Search PDB for entries with ligand similarity: