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Target
Carbonic anhydrase 1
Ligand
BDBM50117672
Substrate
n/a
Meas. Tech.
ChEMBL_1831752 (CHEMBL4331760)
Ki
79±n/a nM
Citation
 Buemi, MR; Di Fiore, A; De Luca, L; Angeli, A; Mancuso, F; Ferro, S; Monti, SM; Buonanno, M; Russo, E; De Sarro, G; De Simone, G; Supuran, CT; Gitto, R Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem 163:443-452 (2019) [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:
BDBM50117672
Synonyms:
CHEMBL3613783
Type:
Small organic molecule
Emp. Form.:
C16H16N2O3S
Mol. Mass.:
316.375
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
Structure:
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