Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM350085
Substrate
n/a
Meas. Tech.
ChEMBL_1643898 (CHEMBL3992827)
Ki
>50000±n/a nM
Citation
 van Kuijk, SJA; Parvathaneni, NK; Niemans, R; van Gisbergen, MW; Carta, F; Vullo, D; Pastorekova, S; Yaromina, A; Supuran, CT; Dubois, LJ; Winum, JY; Lambin, P New approach of delivering cytotoxic drugs towards CAIX expressing cells: A concept of dual-target drugs. Eur J Med Chem 127:691-702 (2017) [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:
BDBM350085
Synonyms:
3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine | BDBM50226746 | US10208027, Compound II-1 | US10208027, Compound II-2 | US10208027, Compound II-3 | US10208027, Compound II-4 | US10479784, Compound IIA-7 | US10822331, Cmpd II-4 | US10961232, Compound IIA-7 | US11787781, Compound A
Type:
Small organic molecule
Emp. Form.:
C24H25N5O3S
Mol. Mass.:
463.552
SMILES:
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
Structure:
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