Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM321055
Substrate
n/a
Meas. Tech.
Enzyme Activity Inhibition
IC50
410±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:
BDBM321055
Synonyms:
US10174040, Example 139 | US9963456, Example 139 | [(2R,3S,5R)-5-[4-Amino-5-[2-(o-tolyl)thiazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl sulfamate
Type:
Small organic molecule
Emp. Form.:
C21H22N6O5S2
Mol. Mass.:
502.567
SMILES:
Cc1ccccc1-c1nc(cs1)-c1cn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |$_AV:;;;;;;;2;3;4;5;1;5;6;7;5;4;3;;2;1;;;;;;1;7a;1;2;3;4;;4a$|
Structure:
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