Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM511540
Substrate
n/a
Meas. Tech.
Human Carbonic Anhydrase-II Inhibition Assay
IC50
1.80±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:
BDBM511540
Synonyms:
US11059794, Example 6.02 | tert-butyl 4-(2,3-difluoro-4- sulfamoylphenyl)sulfonyl- piperidine-1-carboxylate (intermediate 15)/3-[2-[(5- methyltetrazol-2-yl)methyl]-4- (trifluoromethyl)phenyl]-propanoic acid (CAS-RN 1646783-83-6)
Type:
Small organic molecule
Emp. Form.:
C24H25F5N6O5S2
Mol. Mass.:
636.615
SMILES:
Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CC2)S(=O)(=O)c2ccc(c(F)c2F)S(N)(=O)=O)C(F)(F)F)n1
Structure:
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