Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50595008
Substrate
n/a
Meas. Tech.
ChEMBL_2215100 (CHEMBL5128232)
Ki
32±n/a nM
Citation
 Fantacuzzi, M; Amoroso, R; Carradori, S; De Filippis, B Resveratrol-based compounds and neurodegeneration: Recent insight in multitarget therapy. Eur J Med Chem 233:0 (2022) [PubMed] 
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:
BDBM50595008
Synonyms:
CHEMBL5181066
Type:
Small organic molecule
Emp. Form.:
C13H10BrClN2O3S
Mol. Mass.:
389.652
SMILES:
NS(=O)(=O)c1ccc(cc1)\N=C\c1cc(Br)cc(Cl)c1O
Structure:
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