Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50508839
Substrate
n/a
Meas. Tech.
ChEMBL_1834731 (CHEMBL4334864)
Ki
0.040000±n/a nM
Citation
 Mujumdar, P; Kopecka, J; Bua, S; Supuran, CT; Riganti, C; Poulsen, SA Carbonic Anhydrase XII Inhibitors Overcome Temozolomide Resistance in Glioblastoma. J Med Chem 62:4174-4192 (2019) [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:
BDBM50508839
Synonyms:
CHEMBL4579554
Type:
Small organic molecule
Emp. Form.:
C17H18BrN3O5S
Mol. Mass.:
456.311
SMILES:
NS(=O)(=O)c1ccc(CCNC(=O)C(\Cc2ccc(O)c(Br)c2)=N\O)cc1
Structure:
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