Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 9
LigandBDBM50116386
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1511810 (CHEMBL3608012)
Ki 23±n/a nM
Citation Mollica, ACostante, RAkdemir, ACarradori, SStefanucci, AMacedonio, GCeruso, MSupuran, CT Exploring new Probenecid-based carbonic anhydrase inhibitors: Synthesis, biological evaluation and docking studies. Bioorg Med Chem23:5311-8 (2015) [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:
BDBM50116386
n/a
NameBDBM50116386
Synonyms:CHEMBL3604511
TypeSmall organic molecule
Emp. Form.C18H27N3O6S
Mol. Mass.413.488
SMILESCCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: