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Target
Carbonic anhydrase 1
Ligand
BDBM193746
Substrate
n/a
Meas. Tech.
In vitro Carbonic Anhydrase Inhibition Assay
Ki
787± 307 nM
Citation
 Mert, S; Alim, Z; Isgör, MM; Beydemir, Å¿; Kasimogullari, R The synthesis of novel pyrazole-3,4-dicarboxamides bearing 5-amino-1,3,4-thiadiazole-2-sulfonamide moiety with effective inhibitory activity against the isoforms of human cytosolic carbonic anhydrase I and II. Bioorg Chem 68:64-71 (2016) [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:
BDBM193746
Synonyms:
1-(3-((2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)diazenyl)phenyl)-5-phenyl-N3,N4-bis(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3,4-dicarboxamide (14)
Type:
Small organic molecule
Emp. Form.:
C29H26N12O8S4
Mol. Mass.:
798.852
SMILES:
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]/[#7]-c2cccc(c2)-n2nc(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c(-[#6](=O)-[#7]-c3nnc(s3)S([#7])(=O)=O)c2-c2ccccc2)-[#6](=O)-[#6]1
Structure:
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