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Target
Carbonic anhydrase 1
Ligand
BDBM50079068
Substrate
n/a
Meas. Tech.
ChEMBL_344234 (CHEMBL870708)
Ki
454±n/a nM
Citation
 Agrawal, VK; Singh, J; Khadikar, PV; Supuran, CT QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach. Bioorg Med Chem Lett 16:2044-51 (2006) [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:
BDBM50079068
Synonyms:
3-amino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-propionamide | CHEMBL13646
Type:
Small organic molecule
Emp. Form.:
C5H9N5O3S2
Mol. Mass.:
251.287
SMILES:
NCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Structure:
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