Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM10881
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
27±n/a nM
Citation
 Wilkinson, BL; Bornaghi, LF; Houston, TA; Innocenti, A; Vullo, D; Supuran, CT; Poulsen, SA Carbonic anhydrase inhibitors: inhibition of isozymes I, II, and IX with triazole-linked O-glycosides of benzene sulfonamides. J Med Chem 50:1651-7 (2007) [PubMed]  Article 
Target
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:
MAPLCPSPWLPLLIPAPAPGLTVQLLLSLLLLVPVHPQRLPRMQEDSPLGGGSSGEDDPLGEEDLPSEEDSPREEDPPGEEDLPGEEDLPGEEDLPEVKPKSEEEGSLKLEDLPTVEAPGDPQEPQNNAHRDKEGDDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFCPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFPAGVDSSPRAAEPVQLNSCLAAGDILALVFGLLFAVTSVAFLVQMRRQHRRGTKGGVSYRPAEVAETGA
  
Inhibitor
Name:
BDBM10881
Synonyms:
CHEMBL288100 | MZA3 | Methazolamide | Methazolamide (MZA) | Methazolamide, MZA | N-[(2Z)-3-methyl-5-sulfamoyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]acetamide | Sulfonamide, 2 | cid_4100 | sulfonamide 2
Type:
Small organic molecule
Emp. Form.:
C5H8N4O3S2
Mol. Mass.:
236.272
SMILES:
CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Structure:
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Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
Search PDB for entries with ligand similarity: