Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM210935
Substrate
n/a
Meas. Tech.
CA Inhibition Assay
Ki
42±0.0 nM
Citation
 Bhatt, A; Mahon, BP; Cruzeiro, VW; Cornelio, B; Laronze-Cochard, M; Ceruso, M; Sapi, J; Rance, GA; Khlobystov, AN; Fontana, A; Roitberg, A; Supuran, CT; McKenna, R Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem 18:213-222 (2017) [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:
BDBM210935
Synonyms:
4-(phenyl)-bezenesulfonamide (4a)
Type:
Small organic molecule
Emp. Form.:
C12H11NO2S
Mol. Mass.:
233.286
SMILES:
NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Structure:
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