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Target
Carbonic anhydrase 2
Ligand
BDBM50544883
Substrate
n/a
Meas. Tech.
ChEMBL_1993966 (CHEMBL4627861)
Ki
40±n/a nM
Citation
 Abdel-Mohsen, HT; El Kerdawy, AM; Omar, MA; Berrino, E; Abdelsamie, AS; El Diwani, HI; Supuran, CT New thiopyrimidine-benzenesulfonamide conjugates as selective carbonic anhydrase II inhibitors: synthesis, in vitro biological evaluation, and molecular docking studies. Bioorg Med Chem 28:0 (2020) [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:
BDBM50544883
Synonyms:
CHEMBL4644030
Type:
Small organic molecule
Emp. Form.:
C19H15F3N4O3S2
Mol. Mass.:
468.473
SMILES:
NS(=O)(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C(F)(F)F)n2)cc1
Structure:
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