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Target
Carbonic anhydrase 1
Ligand
BDBM50329832
Substrate
n/a
Meas. Tech.
ChEMBL_1752571 (CHEMBL4187331)
Kd
11100±n/a nM
Citation
 ?apkauskait?, E; Zak?auskas, A; Ruibys, V; Linkuvien?, V; Paketuryt?, 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:
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:
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.:
349.792
SMILES:
NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc2ccccc12
Structure:
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