Reaction Details  Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50258990
Substrate
n/a
Meas. Tech.
ChEBML_1690988
IC50
0.799000±n/a nM
Citation
 Alt?ntop, MD; Sever, B; Akal?nÇiftçi, G; Kucukoglu, K; Özdemir, A; Soleimani, SS; Nadaroglu, H; Kaplanc?kl?, ZA Synthesis and evaluation of new benzodioxole-based dithiocarbamate derivatives as potential anticancer agents and hCA-I and hCA-II inhibitors. Eur J Med Chem 125:190-196 (2017) [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:
BDBM50258990
Synonyms:
CHEMBL4090426
Type:
Small organic molecule
Emp. Form.:
C21H23N5O5S2
Mol. Mass.:
489.568
SMILES:
[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1
Structure:
Search PDB for entries with ligand similarity: