Reaction Details Report a problem with these data
Target
Carbonic anhydrase 13
Ligand
BDBM13054
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
18±n/a nM
Citation
 Winum, JY; Temperini, C; El Cheikh, K; Innocenti, A; Vullo, D; Ciattini, S; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue. J Med Chem 49:7024-31 (2006) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 13
Synonyms:
CA-XIII | CAH13_MOUSE | Ca13 | Car13 | Carbonate dehydratase XIII | Carbonic anhydrase 13 | Carbonic anhydrase XIII
Type:
Enzyme
Mol. Mass.:
29522.80
Organism:
Mus musculus (mouse)
Description:
Murine cloned isozyme
Residue:
262
Sequence:
MARLSWGYGEHNGPIHWNELFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPASAKIISNSGHSFNVDFDDTEDKSVLRGGPLTGNYRLRQFHLHWGSADDHGSEHVVDGVRYAAELHVVHWNSDKYPSFVEAAHESDGLAVLGVFLQIGEHNPQLQKITDILDSIKEKGKQTRFTNFDPLCLLPSSWDYWTYPGSLTVPPLLESVTWIVLKQPISISSQQLARFRSLLCTAEGESAAFLLSNHRPPQPLKGRRVRASFY
  
Inhibitor
Name:
BDBM13054
Synonyms:
(2R,4R)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1,7-thieno[2,3-b]thiopyran-6-sulfonamide | Dorzolamide, DZA | sulfonamide 5
Type:
Small organic molecule
Emp. Form.:
C10H16N2O4S3
Mol. Mass.:
324.44
SMILES:
CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
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: