Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 9
LigandBDBM50366036
Substrate/Competitorn/a
Meas. Tech.ChEMBL_807331 (CHEMBL1960511)
Ki 16±n/a nM
Citation Carta, FVullo, DMaresca, AScozzafava, ASupuran, CT New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II. Bioorg Med Chem Lett22:2182-5 (2012) [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:
BDBM50366036
n/a
NameBDBM50366036
Synonyms:CHEMBL1956578
TypeSmall organic molecule
Emp. Form.C7H9NO2
Mol. Mass.139.1519
SMILESCc1cc(C)o\c(c1)=N\O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: