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Target
Carbonic anhydrase 1
Ligand
BDBM50329832
Substrate
n/a
Meas. Tech.
ChEMBL_1752571 (CHEMBL4187331)
Kd
11100±n/a nM
Citation
 Čapkauskaitė, E; Zakšauskas, A; Ruibys, V; Linkuvienė, V; Paketurytė, V; Gedgaudas, M; Kairys, V; Matulis, D Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors. Bioorg Med Chem 26:675-687 (2018) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
Carbonate dehydratase I | 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 (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA | CA-I | CAB | CAH1_HUMAN | CA1 | Carbonic anhydrase | Carbonic anhydrase I
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Human
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50329832
Synonyms:
5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | CHEMBL1272187 | N-alkylated benzimidazole derivative, 4a | carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 4
Type:
Small organic molecule
Emp. Form.:
C15H12ClN3O3S
Mol. Mass.:
n/a
SMILES:
c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl
Structure:
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