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Target
Carbonic anhydrase 1
Ligand
BDBM50523332
Substrate
n/a
Meas. Tech.
ChEMBL_1890032 (CHEMBL4391786)
Ki
97±n/a nM
Citation
 Krasavin, M; Shetnev, A; Baykov, S; Kalinin, S; Nocentini, A; Sharoyko, V; Poli, G; Tuccinardi, T; Korsakov, M; Tennikova, TB; Supuran, CT Pyridazinone-substituted benzenesulfonamides display potent inhibition of membrane-bound human carbonic anhydrase IX and promising antiproliferative activity against cancer cell lines. Eur J Med Chem 168:301-314 (2019) [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:
Human
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50523332
Synonyms:
CHEMBL4569531
Type:
Small organic molecule
Emp. Form.:
C16H19ClN4O3S
Mol. Mass.:
382.865
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1ncc(N2CCCCCC2)c(Cl)c1=O
Structure:
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