Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM321040
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:
BDBM321040
Synonyms:
4-Amino-5-[2-[2,6-difluoro-4-[(3R)-3-hydroxypyrrolidin-1-yl]phenyl]ethynyl]-7-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(sulfamoylamino)methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidine | US10174040, Example 120 | US9963456, Example 120
Type:
Small organic molecule
Emp. Form.:
C24H27F2N7O5S
Mol. Mass.:
563.577
SMILES:
Nc1ncnc2n(cc(C#Cc3c(F)cc(cc3F)N3CC[C@@H](O)C3)c12)[C@@H]1C[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O
Structure:
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