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Target
Carbonic anhydrase 2
Ligand
BDBM511563
Substrate
n/a
Meas. Tech.
Human Carbonic Anhydrase-II Inhibition Assay
IC50
2.90±n/a nM
Citation
 Mattei, P; Hert, J; Hunziker, D; Rudolph, M; Schmitz, P; Di Giorgio, P; Gomme, J Heterocyclic compounds useful as dual ATX/CA inhibitors US Patent  US11059794 Publication Date 7/13/2021 
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:
BDBM511563
Synonyms:
US11059794, Example 6.23 | tert-butyl 4-(2-fluoro-4- sulfamoylphenyl)sulfonylpiperidine- 1-carboxylate (intermediate 11)/6- cyclobutyloxy-5- cyclopropylpyridine-3-carboxylic acid (intermediate 17)
Type:
Small organic molecule
Emp. Form.:
C24H28FN3O6S2
Mol. Mass.:
537.624
SMILES:
NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)C1CCN(CC1)C(=O)c1cnc(OC2CCC2)c(c1)C1CC1
Structure:
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