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Target
Carbonic anhydrase 1
Ligand
BDBM50294021
Substrate
n/a
Meas. Tech.
ChEMBL_572880 (CHEMBL1034440)
Ki
65±n/a nM
Citation
 Nasr, G; Petit, E; Vullo, D; Winum, JY; Supuran, CT; Barboiu, M Carbonic anhydrase-encoded dynamic constitutional libraries: toward the discovery of isozyme-specific inhibitors. J Med Chem 52:4853-9 (2009) [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:
BDBM50294021
Synonyms:
CHEMBL563360 | N-(3-carboxybenzylidene)(4-sulphonamidephenyl)ethanamine
Type:
Small organic molecule
Emp. Form.:
C16H16N2O4S
Mol. Mass.:
332.374
SMILES:
NS(=O)(=O)c1ccc(CC\N=C\c2cccc(c2)C(O)=O)cc1
Structure:
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