Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50279349
Substrate
n/a
Meas. Tech.
ChEMBL_1720745 (CHEMBL4135745)
Ki
703±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:
BDBM50279349
Synonyms:
CHEMBL4167060
Type:
Small organic molecule
Emp. Form.:
C13H13N5O2S
Mol. Mass.:
303.34
SMILES:
NS(=O)(=O)c1ccc(cc1)C1=NCCN1c1cncnc1 |t:11|
Structure:
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