Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50207843
Substrate
n/a
Meas. Tech.
ChEMBL_1632258 (CHEMBL3874964)
Ki
5.5±n/a nM
Citation
 Ivanova, J; Balode, A; ?alubovskis, R; Leitans, J; Kazaks, A; Vullo, D; Tars, K; Supuran, CT 5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations. Bioorg Med Chem 25:857-863 (2017) [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:
BDBM50207843
Synonyms:
CHEMBL3956141
Type:
Small organic molecule
Emp. Form.:
C12H13NO3S3
Mol. Mass.:
315.432
SMILES:
COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1
Structure:
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