Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM12919
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
Ki
2000±n/a nM
Citation
 Wilkinson, BL; Bornaghi, LF; Houston, TA; Innocenti, A; Supuran, CT; Poulsen, SA A novel class of carbonic anhydrase inhibitors: glycoconjugate benzene sulfonamides prepared by "click-tailing". J Med Chem 49:6539-48 (2006) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM12919
Synonyms:
4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta-D-glucopyranosyl)-1H-1,2,3-triazole | 4-sulfamoyl-N-({1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide | CHEMBL385152 | Glycoconjugate Benzene Sulfonamide 2aa
Type:
Small organic molecule
Emp. Form.:
C16H21N5O8S
Mol. Mass.:
443.432
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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:
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