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Target
Carbonic anhydrase 2
Ligand
BDBM511570
Substrate
n/a
Meas. Tech.
Human Carbonic Anhydrase-II Inhibition Assay
IC50
2.40±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:
BDBM511570
Synonyms:
US11059794, Example 6.30 | tert-butyl 4-(2-fluoro-4- sulfamoylphenyl)sulfonylpiperidine- 1-carboxylate (intermediate 11)/3- [4-cyano-2-[(5-methyltetrazol-2- yl)methyl]phenyl]propanoic acid (intermediate 13)
Type:
Small organic molecule
Emp. Form.:
C24H26FN7O5S2
Mol. Mass.:
575.636
SMILES:
Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(cc2F)S(N)(=O)=O)C#N)n1
Structure:
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