Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50556084
Substrate
n/a
Meas. Tech.
ChEMBL_2054802 (CHEMBL4709803)
Ki
12±n/a nM
Citation
 Alkhaldi, AAM; Al-Sanea, MM; Nocentini, A; Eldehna, WM; Elsayed, ZM; Bonardi, A; Abo-Ashour, MF; El-Damasy, AK; Abdel-Maksoud, MS; Al-Warhi, T; Gratteri, P; Abdel-Aziz, HA; Supuran, CT; El-Haggar, R 3-Methylthiazolo[3,2-a]benzimidazole-benzenesulfonamide conjugates as novel carbonic anhydrase inhibitors endowed with anticancer activity: Design, synthesis, biological and molecular modeling studies. Eur J Med Chem 207:0 (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:
BDBM50556084
Synonyms:
CHEMBL4791447
Type:
Small organic molecule
Emp. Form.:
C20H18N4O3S2
Mol. Mass.:
426.512
SMILES:
Cc1c(sc2nc3ccccc3n12)C(=O)\C=C\NCc1ccc(cc1)S(N)(=O)=O
Structure:
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