Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarbonic anhydrase 9
LigandBDBM11638
Substrate/CompetitorBDBM10856
Meas. Tech.CA Inhibition Assay
pH7.5±n/a
Temperature295.15±n/a K
Ki 31±n/a nM
Citation Menchise, VDe Simone, GAlterio, VDi Fiore, APedone, CScozzafava, ASupuran, CT Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II. J Med Chem48:5721-7 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Carbonic anhydrase 9
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:
BDBM11638
NameBDBM11638
Synonyms:CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide | SULPIRIDE,(+) | SULPIRIDE,(-) | Sulpiride | Sulpiride, SLP | Sulpiride-R | US10172837, Sulpiride
TypeSmall organic molecule
Emp. Form.C15H23N3O4S
Mol. Mass.341.426
SMILESCCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BDBM10856
NameBDBM10856
Synonyms:Carbon Dioxide | methanedione
TypeSmall organic molecule
Emp. Form.CO2
Mol. Mass.44.0095
SMILESO=C=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: