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Target
Carbonic anhydrase 1
Ligand
BDBM50159796
Substrate
n/a
Meas. Tech.
ChEMBL_739878 (CHEMBL1762938)
Ki
74000±n/a nM
Citation
 Carta, F; Innocenti, A; Hall, RA; Mühlschlegel, FA; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives. Bioorg Med Chem Lett 21:2521-6 (2011) [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:
BDBM50159796
Synonyms:
2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5,6-tetrafluoro-benzoate | sodium 2,3,5,6-tetrafluorobenzoate
Type:
Small organic molecule
Emp. Form.:
C7HF4O2
Mol. Mass.:
193.0758
SMILES:
[O-]C(=O)c1c(F)c(F)cc(F)c1F
Structure:
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