Reaction Details Report a problem with these data
Target
Carbonic anhydrase 9
Ligand
BDBM15225
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
72±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:
BDBM15225
Synonyms:
(3R,4R,5S)-4,5-bis(acetyloxy)-6-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methoxy}oxan-3-yl acetate | 4-(4-{[(2,3,4-tri-O-acetyl-D-arabinopyranosyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)benzenesulfonamide | glycoconjugate sulfonamide 9
Type:
Small organic molecule
Emp. Form.:
C20H24N4O10S
Mol. Mass.:
512.49
SMILES:
CC(=O)O[C@@H]1COC(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:7.7|
Structure:
Search PDB for entries with ligand similarity:
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: