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Target
Carbonic anhydrase 9
Ligand
BDBM50115579
Substrate
n/a
Meas. Tech.
ChEMBL_835656 (CHEMBL2071767)
Ki
6790±n/a nM
Citation
 Sechi, M; Innocenti, A; Pala, N; Rogolino, D; Carcelli, M; Scozzafava, A; Supuran, CT Inhibition ofa-class cytosolic human carbonic anhydrases I, II, IX and XII, andß-class fungal enzymes by carboxylic acids and their derivatives: new isoform-I selective nanomolar inhibitors. Bioorg Med Chem Lett 22:5801-6 (2012) [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:
BDBM50115579
Synonyms:
(Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-Hydroxy-4-oxo-4-phenyl-but-2-enoic acid (0.25H2O) | CHEMBL16326 | CHEMBL19332 | CHEMBL467389 | Sacchettini_CTRL
Type:
Small organic molecule
Emp. Form.:
C10H8O4
Mol. Mass.:
192.1681
SMILES:
OC(=O)C(=O)CC(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: