Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM321057
Substrate
n/a
Meas. Tech.
Enzyme Activity Inhibition
IC50
>1000±n/a nM
Citation
 Mizutani, T; Yoshimura, C; Kondo, H; Kitade, M; Ohkubo, S Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof US Patent  US9963456 Publication Date 5/8/2018 
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:
BDBM321057
Synonyms:
4-Amino-5-[2-(2-ethylsulfonyl-6-fluoro-phenyl) ethynyl]-7-[(2R,4S,5R)-4-hydroxy-5-[(sulfamoylamino)methyl]tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine | US10174040, Example 143 | US9963456, Example 143
Type:
Small organic molecule
Emp. Form.:
C21H23FN6O6S2
Mol. Mass.:
538.572
SMILES:
CCS(=O)(=O)c1cccc(F)c1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CNS(N)(=O)=O)O2)c2ncnc(N)c12
Structure:
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