Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM238302
Substrate
n/a
Meas. Tech.
CA Activity Assay
pH
7.4±0
Temperature
298.15±0 K
Ki
521±n/a nM
Citation
 Sen, E; Alim, Z; Duran, H; Isgör, MM; Beydemir, Å¿; Kasimogullari, R; Ok, S Inhibitory effect of novel pyrazole carboxamide derivatives on human carbonic anhydrase enzyme. J Enzyme Inhib Med Chem 28:328-36 (2013) [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:
BDBM238302
Synonyms:
4-benzoyl-1-(3-((3-hydroxy-1-oxo-1-phenylbut-2-en-2-yl)diazenyl)phenyl)-5-phenyl-N-(4-sulfamoylphenyl)-1Hpyrazole-3-carboxamide (7)
Type:
Small organic molecule
Emp. Form.:
C39H30N6O6S
Mol. Mass.:
710.757
SMILES:
CC(=O)C(=N/Nc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)\C(=O)c1ccccc1
Structure:
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