Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50492596
Substrate
n/a
Meas. Tech.
ChEMBL_974280 (CHEMBL2411710)
IC50
58±n/a nM
Citation
 Wang, ZC; Qin, YJ; Wang, PF; Yang, YA; Wen, Q; Zhang, X; Qiu, HY; Duan, YT; Wang, YT; Sang, YL; Zhu, HL Sulfonamides containing coumarin moieties selectively and potently inhibit carbonic anhydrases II and IX: design, synthesis, inhibitory activity and 3D-QSAR analysis. Eur J Med Chem 66:1-11 (2013) [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:
BDBM50492596
Synonyms:
CHEMBL2408075
Type:
Small organic molecule
Emp. Form.:
C19H12ClN3O4S2
Mol. Mass.:
445.899
SMILES:
Clc1c(\C=N\c2ccc(cc2)S(=O)(=O)Nc2nccs2)c(=O)oc2ccccc12
Structure:
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