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Target
Carbonic anhydrase 2
Ligand
BDBM50279661
Substrate
n/a
Meas. Tech.
ChEMBL_2272765
Ki
1838±n/a nM
Citation
 Xiao, YC; Yu, JL; Dai, QQ; Li, G; Li, GB Targeting Metalloenzymes by Boron-Containing Metal-Binding Pharmacophores. J Med Chem 64:17706-17727 (2021) [PubMed] 
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:
BDBM50279661
Synonyms:
CHEMBL4166065
Type:
Small organic molecule
Emp. Form.:
C15H12BF3N2O2S
Mol. Mass.:
352.139
SMILES:
OB1OCc2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc12
Structure:
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