Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 9
LigandBDBM50303499
Substrate/Competitorn/a
Meas. Tech.ChEMBL_595957 (CHEMBL1044459)
Ki 9800±n/a nM
Citation Maresca, ATemperini, CPochet, LMasereel, BScozzafava, ASupuran, CT Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. J Med Chem53:335-44 (2010) [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:
BDBM50303499
n/a
NameBDBM50303499
Synonyms:7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin | 7-methoxy-2H-1-benzopyran-2-one | Ayapanin | CHEMBL49732 | Herniarin | Herniarine | Methylumbelliferone
TypeSmall organic molecule
Emp. Form.C10H8O3
Mol. Mass.176.1687
SMILESCOc1ccc2ccc(=O)oc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: