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Target
Carbonic anhydrase 1
Ligand
BDBM50557491
Substrate
n/a
Meas. Tech.
ChEMBL_2059269 (CHEMBL4714270)
Ki
1392±n/a nM
Citation
 Swain, B; Abhay, na; Singh, P; Angeli, A; Aashritha, K; Nagesh, N; Supuran, CT; Arifuddin, M 3-Functionalised benzenesulphonamide based 1,3,4-oxadiazoles as selective carbonic anhydrase XIII inhibitors: Design, synthesis and biological evaluation. Bioorg Med Chem Lett 37:0 (2021) [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:
BDBM50557491
Synonyms:
CHEMBL4743714
Type:
Small organic molecule
Emp. Form.:
C17H17N3O6S
Mol. Mass.:
391.398
SMILES:
COc1cc(cc(OC)c1OC)-c1nnc(o1)-c1cccc(c1)S(N)(=O)=O
Structure:
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