Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50564897
Substrate
n/a
Meas. Tech.
ChEMBL_2089634 (CHEMBL4770897)
Ki
14±n/a nM
Citation
 Elzahhar, PA; Abd El Wahab, SM; Elagawany, M; Daabees, H; Belal, ASF; El-Yazbi, AF; Eid, AH; Alaaeddine, R; Hegazy, RR; Allam, RM; Helmy, MW; Bahaa Elgendy, na; Angeli, A; El-Hawash, SA; Supuran, CT Expanding the anticancer potential of 1,2,3-triazoles via simultaneously targeting Cyclooxygenase-2, 15-lipoxygenase and tumor-associated carbonic anhydrases. Eur J Med Chem 200:0 (2020) [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:
BDBM50564897
Synonyms:
CHEMBL4780406
Type:
Small organic molecule
Emp. Form.:
C20H18ClN7O2S2
Mol. Mass.:
487.986
SMILES:
C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1nnn(c1C)-c1ccc(cc1)S(N)(=O)=O
Structure:
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