Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM10880
Substrate
n/a
Meas. Tech.
Esterase Activity Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
0.7472±0.0722 nM
IC50
0.9957±0.0 nM
Comments
extracted
Citation
 Kocyigit, UM; Budak, Y; Gürdere, MB; Tekin, Å¿; Köprülü, TK; Ertürk, F; Özcan, K; Gülçin, Ä°; Ceylan, M Synthesis, characterization, anticancer, antimicrobial and carbonic anhydrase inhibition profiles of novel (3aR,4S,7R,7aS)-2-(4-((E)-3-(3-aryl)acryloyl) phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione derivatives. Bioorg Chem 70:118-125 (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:
BDBM10880
Synonyms:
AZA | AZA2 | AZM acetazolamide | Acerazolamide, AAZ | Acetazolamide | Acetazolamide (AAZ) | Acetazolamide (AZA) | Acetazolamide (AZM) | Acetazolamide, 5 | Acetazolamide, AAZ | Acetazolamide, AZA | Acetazolamide, AZM | CHEMBL20 | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | Sulfonamide, 1 | US10172837, Acetazolamide | US11278534, Example acetazolamide | US11535599, Example acetazolamide | sulfonamide 1
Type:
Small organic molecule
Emp. Form.:
C4H6N4O3S2
Mol. Mass.:
222.245
SMILES:
CC(=O)Nc1nnc(s1)S(N)(=O)=O
Structure:
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