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Target
Carbonic anhydrase 1
Ligand
BDBM50454305
Substrate
n/a
Meas. Tech.
ChEMBL_1752583 (CHEMBL4187343)
Kd
341±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:
BDBM50454305
Synonyms:
CHEMBL4210750
Type:
Small organic molecule
Emp. Form.:
C17H15Cl2N3O3S
Mol. Mass.:
412.3
SMILES:
Cc1cc2ncn(CC(=O)c3cc(c(Cl)cc3Cl)S(N)(=O)=O)c2cc1C
Structure:
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