Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50145918
Substrate
n/a
Meas. Tech.
ChEMBL_1554260 (CHEMBL3766474)
Kd
490000±n/a nM
Citation
 Zech, SG; Kohlmann, A; Zhou, T; Li, F; Squillace, RM; Parillon, LE; Greenfield, MT; Miller, DP; Qi, J; Thomas, RM; Wang, Y; Xu, Y; Miret, JJ; Shakespeare, WC; Zhu, X; Dalgarno, DC Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J Med Chem 59:671-86 (2016) [PubMed]  Article 
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:
BDBM50145918
Synonyms:
CHEMBL3763993
Type:
Small organic molecule
Emp. Form.:
C14H23N3
Mol. Mass.:
233.3525
SMILES:
CN1CCCN(Cc2ccc(CN)cc2)CC1
Structure:
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