Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM239171
Substrate
BDBM237235
Meas. Tech.
Esterase Assay
pH
7.4±0
Temperature
298.15±0 K
Ki
6.8e+3±n/a nM
Citation
Ekinci, D; Fidan, İ; Durdagi, S; Kaban, ſ; Supuran, CT Kinetic and in silico analysis of thiazolidin-based inhibitors of a-carbonic anhydrase isoenzymes. J Enzyme Inhib Med Chem 28:370-4 (2013) [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:
BDBM239171
Synonyms:
Thiazolidin-based CA inhibitor, 1
Type:
Small organic molecule
Emp. Form.:
C13H12N2OS2
Mol. Mass.:
276.377
SMILES:
Cc1cccc(n1)N1C(SCC1=O)c1cccs1