Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM12144
Substrate
BDBM10856
Meas. Tech.
CA Inhibition Assay
Ki
15±n/a nM
Citation
 Winum, JY; Dogne, JM; Casini, A; de Leval, X; Montero, JL; Scozzafava, A; Vullo, D; Innocenti, A; Supuran, CT Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties. J Med Chem 48:2121-5 (2005) [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:
BDBM12144
Synonyms:
4-(N-(4-benzyloxyphenyl)aminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide | N-({[4-(benzyloxy)phenyl]carbamoyl}amino)-4-sulfamoylbenzamide | urea analog 3h
Type:
Small organic molecule
Emp. Form.:
C21H20N4O5S
Mol. Mass.:
440.472
SMILES:
NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(OCc2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10856
Synonyms:
Carbon Dioxide | methanedione
Type:
Small organic molecule
Emp. Form.:
CO2
Mol. Mass.:
44.0095
SMILES:
O=C=O
Structure:
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