Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50574158
Substrate
n/a
Meas. Tech.
ChEMBL_2121942 (CHEMBL4831089)
Ki
4.5±n/a nM
Citation
 Tanini, D; Carradori, S; Capperucci, A; Lupori, L; Zara, S; Ferraroni, M; Ghelardini, C; Mannelli, L; Micheli, L; Lucarini, E; Carta, F; Angeli, A; Supuran, CT Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action. Eur J Med Chem 225:0 (2021) [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:
BDBM50574158
Synonyms:
CHEMBL4854921
Type:
Small organic molecule
Emp. Form.:
C16H19NO4S2Se
Mol. Mass.:
432.42
SMILES:
[#6]-[#8]-c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccc(cc2)S([#7])(=O)=O)cc1
Structure:
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