Reaction Details Report a problem with these data
Target
Carbonic anhydrase 2
Ligand
BDBM50345226
Substrate
n/a
Meas. Tech.
ChEMBL_751965 (CHEMBL1785907)
Ki
33.8±n/a nM
Citation
 Hen, N; Bialer, M; Yagen, B; Maresca, A; Aggarwal, M; Robbins, AH; McKenna, R; Scozzafava, A; Supuran, CT Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J Med Chem 54:3977-81 (2011) [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:
BDBM50345226
Synonyms:
2-Ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butyramide | 2-ethyl-N-(4-sulfamoylphenethyl)butanamide | CHEMBL1082898
Type:
Small organic molecule
Emp. Form.:
C14H22N2O3S
Mol. Mass.:
298.401
SMILES:
CCC(CC)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Structure:
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