Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50423787
Substrate
n/a
Meas. Tech.
ChEMBL_1584562 (CHEMBL3820553)
Kd
60600±n/a nM
Citation
 Gaspari, R; Rechlin, C; Heine, A; Bottegoni, G; Rocchia, W; Schwarz, D; Bomke, J; Gerber, HD; Klebe, G; Cavalli, A Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J Med Chem 59:4245-56 (2016) [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:
BDBM50423787
Synonyms:
4-Propyl-Benzenesulfonamide | 4-Propylbenzenesulfonamide | CHEMBL148660
Type:
Small organic molecule
Emp. Form.:
C9H13NO2S
Mol. Mass.:
199.27
SMILES:
CCCc1ccc(cc1)S(N)(=O)=O
Structure:
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