Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrases; II & IX
LigandBDBM33412
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1664111
Ki 480±n/a nM
Citation Falsini MSquarcialupi LCatarzi DVarano FBetti MDi Cesare Mannelli LTenci BGhelardini CTanc MAngeli ASupuran CTColotta 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
More Info.:Get all data from this article,  Assay Method
 
Carbonic anhydrases; II & IX
Name:Carbonic anhydrases; II & IX
Synonyms:CA-IX | 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) | 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:
BDBM33412
n/a
NameBDBM33412
Synonyms:CHEMBL183852 | N-hydroxy quinazolinedione, 4
TypeSmall organic molecule
Emp. Form.C8H6N2O3
Mol. Mass.178.1448
SMILESOn1c(=O)[nH]c2ccccc2c1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: