Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50557491
Substrate
n/a
Meas. Tech.
ChEMBL_2059270 (CHEMBL4714271)
Ki
905±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 2
Synonyms:
CA-II | CA2 | CAC | CAH2_HUMAN | Carbonate dehydratase II | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase 2 (CA-II) | Carbonic anhydrase 2 (Recombinant CA II) | Carbonic anhydrase C | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II) | Carbonic anhydrase II (CAII) | Carbonic anhydrase II (hCA II) | Carbonic anhydrase isoenzyme II (hCA II)
Type:
Enzyme
Mol. Mass.:
29250.71
Organism:
Homo sapiens (Human)
Description:
P00918
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
  
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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