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Target
Carbonic anhydrase 1
Ligand
BDBM50079063
Substrate
n/a
Meas. Tech.
ChEMBL_44860 (CHEMBL858760)
Ki
450±n/a nM
Citation
 Agrawal, VK; Khadikar, PV Modelling of carbonic anhydrase inhibitory activity of sulfonamides using molecular negentropy. Bioorg Med Chem Lett 13:447-53 (2003) [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:
BDBM50079063
Synonyms:
6-(2,3-Dichloro-4,6-disulfamoyl-phenylcarbamoyl)-pyridine-2-carboxylic acid | BDBM50222604 | CHEMBL89634
Type:
Small organic molecule
Emp. Form.:
C13H10Cl2N4O7S2
Mol. Mass.:
469.277
SMILES:
NS(=O)(=O)c1cc(c(NC(=O)c2cccc(n2)C(O)=O)c(Cl)c1Cl)S(N)(=O)=O
Structure:
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