Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM10882
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
25±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
More Info.:
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:
BDBM10882
Synonyms:
6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL18 | Ethamide | Ethoxazolamide | Ethoxzolamide | Ethoxzolamide (EZA) | Ethoxzolamide, EZM | Sulfonamide, 3 | US10172837, Ethoxyzolamide | sulfonamide 3
Type:
Small organic molecule
Emp. Form.:
C9H10N2O3S2
Mol. Mass.:
258.317
SMILES:
CCOc1ccc2nc(sc2c1)S(N)(=O)=O