Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50452588
Substrate
n/a
Meas. Tech.
ChEMBL_45241 (CHEMBL658944)
Ki
16±n/a nM
Citation
 Baldwin, JJ; Ponticello, GS; Anderson, PS; Christy, ME; Murcko, MA; Randall, WC; Schwam, H; Sugrue, MF; Springer, JP; Gautheron, P Thienothiopyran-2-sulfonamides: novel topically active carbonic anhydrase inhibitors for the treatment of glaucoma. J Med Chem 32:2510-3 (1989) [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:
BDBM50452588
Synonyms:
CHEMBL2092885
Type:
Small organic molecule
Emp. Form.:
C9H15ClN2O4S3
Mol. Mass.:
346.874
SMILES:
Cl.CCN[C@@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Structure:
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