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Target
Carbonic anhydrase 2
Ligand
BDBM50582927
Substrate
n/a
Meas. Tech.
ChEMBL_2156259 (CHEMBL5040919)
Ki
2.3±n/a nM
Citation
 Abdel-Mohsen, HT; El Kerdawy, AM; Omar, MA; Petreni, A; Allam, RM; El Diwani, HI; Supuran, CT Application of the dual-tail approach for the design and synthesis of novel Thiopyrimidine-Benzenesulfonamide hybrids as selective carbonic anhydrase inhibitors. Eur J Med Chem 228:0 (2022) [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:
BDBM50582927
Synonyms:
CHEMBL5089904
Type:
Small organic molecule
Emp. Form.:
C27H22BrN5O5S2
Mol. Mass.:
640.528
SMILES:
COc1ccc(OC)c(c1)-c1nc(SCC(=O)c2ccc(Br)cc2)nc(Nc2cccc(c2)S(N)(=O)=O)c1C#N
Structure:
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