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Target
Carbonic anhydrase 1
Ligand
BDBM50157954
Substrate
n/a
Meas. Tech.
ChEMBL_303317 (CHEMBL876385)
Ki
820±n/a nM
Citation
 Turkmen, H; Durgun, M; Yilmaztekin, S; Emul, M; Innocenti, A; Vullo, D; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Novel sulfanilamide/acetazolamide derivatives obtained by the tail approach and their interaction with the cytosolic isozymes I and II, and the tumor-associated isozyme IX. Bioorg Med Chem Lett 15:367-72 (2004) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50157954
Synonyms:
4-(4-Methyl-piperidin-1-yl)-N-(4-sulfamoyl-phenyl)-butyramide | CHEMBL182185
Type:
Small organic molecule
Emp. Form.:
C16H25N3O3S
Mol. Mass.:
339.453
SMILES:
CC1CCN(CCCC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
Structure:
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