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Target
Carbonic anhydrase 9
Ligand
BDBM50144806
Substrate
n/a
Meas. Tech.
ChEMBL_1664111 (CHEMBL4013792)
Ki
70±n/a nM
Citation
 Falsini, M; Squarcialupi, L; Catarzi, D; Varano, F; Betti, M; Di Cesare Mannelli, L; Tenci, B; Ghelardini, C; Tanc, M; Angeli, A; Supuran, CT; Colotta, V 3-Hydroxy-1H-quinazoline-2,4-dione as a New Scaffold To Develop Potent and Selective Inhibitors of the Tumor-Associated Carbonic Anhydrases IX and XII. J Med Chem 60:6428-6439 (2017) [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:
BDBM50144806
Synonyms:
7-Chloro-3-hydroxy-1H-quinazoline-2,4-dione | 7-chloro-3-hydroxyquinazoline-2,4-dione | CHEMBL80594
Type:
Small organic molecule
Emp. Form.:
C8H5ClN2O3
Mol. Mass.:
212.59
SMILES:
On1c(=O)[nH]c2cc(Cl)ccc2c1=O
Structure:
Search PDB for entries with ligand similarity: