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TargetCarbonic anhydrase 9
LigandBDBM50303498
Substrate/Competitorn/a
Meas. Tech.ChEMBL_595957 (CHEMBL1044459)
Ki 3000±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:
BDBM50303498
n/a
NameBDBM50303498
Synonyms:1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azonia-tricyclo[3.3.1.1*3,7*]decane | CHEMBL578167
TypeSmall organic molecule
Emp. Form.C16H19N4O2
Mol. Mass.299.3471
SMILESO=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: