Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50219176
Substrate
n/a
Meas. Tech.
ChEMBL_219472 (CHEMBL824220)
Ki
0.400000±n/a nM
Citation
 Scozzafava, A; Menabuoni, L; Mincione, F; Mincione, G; Supuran, CT Carbonic anhydrase inhibitors: synthesis of sulfonamides incorporating dtpa tails and of their zinc complexes with powerful topical antiglaucoma properties. Bioorg Med Chem Lett 11:575-82 (2001) [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:
BDBM50219176
Synonyms:
CHEMBL2111218
Type:
Small organic molecule
Emp. Form.:
C20H29N11O12S4Zn
Mol. Mass.:
809.18
SMILES:
[Zn++].Cn1nc(s\c1=N\C(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)\N=c1/sc(nn1C)S(N)(=O)=O)CC([O-])=O)CC(O)=O)S(N)(=O)=O
Structure:
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