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Target
Carbonic anhydrase 2
Ligand
BDBM10857
Substrate
n/a
Meas. Tech.
ChEMBL_1584561 (CHEMBL3820552)
Kd
5550±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:
BDBM10857
Synonyms:
4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanilamide | aromatic sulfonamide compound 5 | aromatic/heteroaromatic sulfonamide 2 | halogenosulfanilamide deriv. 5a
Type:
Small organic molecule
Emp. Form.:
C6H8N2O2S
Mol. Mass.:
172.205
SMILES:
Nc1ccc(cc1)S(N)(=O)=O
Structure:
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