Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50071818
Substrate
n/a
Meas. Tech.
ChEMBL_1467068 (CHEMBL3411265)
Ki
201±n/a nM
Citation
 Tanpure, RP; Ren, B; Peat, TS; Bornaghi, LF; Vullo, D; Supuran, CT; Poulsen, SA Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site. J Med Chem 58:1494-501 (2015) [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:
BDBM50071818
Synonyms:
CHEMBL3410759
Type:
Small organic molecule
Emp. Form.:
C20H30N10O14S2
Mol. Mass.:
698.641
SMILES:
NS(=O)(=O)c1nnc(s1)N(Cc1cn(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1)Cc1cn(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
Structure:
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