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Target
Carbonic anhydrase 1
Ligand
BDBM50141793
Substrate
n/a
Meas. Tech.
ChEBML_47521
Ki
5000±n/a nM
Citation
 Pastorekova, S; Casini, A; Scozzafava, A; Vullo, D; Pastorek, J; Supuran, CT Carbonic anhydrase inhibitors: the first selective, membrane-impermeant inhibitors targeting the tumor-associated isozyme IX. Bioorg Med Chem Lett 14:869-73 (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:
BDBM50141793
Synonyms:
2,6-Diisopropyl-4-phenyl-1-(4-sulfamoyl-phenyl)-pyridinium; perchlorate | CHEMBL422747
Type:
Small organic molecule
Emp. Form.:
C23H27N2O2S
Mol. Mass.:
395.537
SMILES:
CC(C)c1cc(cc(C(C)C)[n+]1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Structure:
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