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Target
Carbonic anhydrase 2
Ligand
BDBM50004953
Substrate
n/a
Meas. Tech.
ChEMBL_965225 (CHEMBL2394010)
IC50
13±n/a nM
Citation
 Wang, L; Yang, C; Lu, W; Liu, L; Gao, R; Liao, S; Zhao, Z; Zhu, L; Xu, Y; Li, H; Huang, J; Zhu, W Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening. Bioorg Med Chem Lett 23:3496-9 (2013) [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:
BDBM50004953
Synonyms:
CHEMBL2392433
Type:
Small organic molecule
Emp. Form.:
C15H18N2O4S
Mol. Mass.:
322.379
SMILES:
COc1ccc(CNc2ccc(cc2)S(N)(=O)=O)cc1OC
Structure:
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