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Target
Carbonic anhydrase 1
Ligand
BDBM50084593
Substrate
n/a
Meas. Tech.
ChEMBL_47511 (CHEMBL657821)
Ki
45±n/a nM
Citation
 Scozzafava, A; Briganti, F; Ilies, MA; Supuran, CT Carbonic anhydrase inhibitors: synthesis of membrane-impermeant low molecular weight sulfonamides possessing in vivo selectivity for the membrane-bound versus cytosolic isozymes. J Med Chem 43:292-300 (2000) [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:
BDBM50084593
Synonyms:
2,6-Diethyl-4-phenyl-1-{[4-(4-sulfamoyl-phenylamino)-pyrimidin-2-ylcarbamoyl]-methyl}-pyridinium; perchlorate | CHEMBL100748
Type:
Small organic molecule
Emp. Form.:
C27H29N6O3S
Mol. Mass.:
517.622
SMILES:
CCc1cc(cc(CC)[n+]1CC(=O)Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1)-c1ccccc1
Structure:
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