Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM321054
Substrate
n/a
Meas. Tech.
Carbonic Anhydrase II Enzyme Activity Inhibition
IC50
120±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  US10174040 Publication Date 1/8/2019 
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:
BDBM321054
Synonyms:
US10174040, Example 138 | US9963456, Example 138 | [(1R,2S,4R)-4-[4-Amino-5-[1-[(3,4-dimethylphenyl)methyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-cyclopentyl]methyl sulfamate
Type:
Small organic molecule
Emp. Form.:
C24H29N7O4S
Mol. Mass.:
511.597
SMILES:
Cc1ccc(Cn2cc(cn2)-c2cn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)C3)c3ncnc(N)c23)cc1C |$_AV:;4;5;6;1;;1;5;4;3;2;5;6;7;4;3;2;;1;1;;;;;;5;7a;1;2;3;4;;4a;2;3;$|
Structure:
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