Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50279368
Substrate
n/a
Meas. Tech.
ChEMBL_1720745 (CHEMBL4135745)
Ki
867±n/a nM
Citation
 Kalinin, S; Kopylov, S; Tuccinardi, T; Sapegin, A; Dar'in, D; Angeli, A; Supuran, CT; Krasavin, M Lucky Switcheroo: Dramatic Potency and Selectivity Improvement of Imidazoline Inhibitors of Human Carbonic Anhydrase VII. ACS Med Chem Lett 8:1105-1109 (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:
BDBM50279368
Synonyms:
CHEMBL4159818
Type:
Small organic molecule
Emp. Form.:
C17H19N3O3S
Mol. Mass.:
345.416
SMILES:
CCOc1ccccc1N1CCN=C1c1ccc(cc1)S(N)(=O)=O |c:13|
Structure:
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