Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM193736
Substrate
n/a
Meas. Tech.
In vitro Carbonic Anhydrase Inhibition Assay
Ki
1663± 255 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:
BDBM193736
Synonyms:
1-(3-((2-Hydroxynaphthalen-1-yl)diazenyl)phenyl)-5-phenyl-N3,N4-bis(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3,4-dicarboxamide (4)
Type:
Small organic molecule
Emp. Form.:
C31H22N12O7S4
Mol. Mass.:
802.843
SMILES:
NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)Nc2nnc(s2)S(N)(=O)=O)-c2ccccc2)-c2cccc(c2)\N=N\c2c(O)ccc3ccccc23)s1
Structure:
Search PDB for entries with ligand similarity: