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Target
Carbonic anhydrase 1
Ligand
BDBM50117670
Substrate
n/a
Meas. Tech.
ChEMBL_1515205 (CHEMBL3614552)
Ki
40±n/a nM
Citation
 Buemi, MR; De Luca, L; Ferro, S; Bruno, E; Ceruso, M; Supuran, CT; Pospí?ilová, K; Brynda, J; Rezácová, P; Gitto, R Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur J Med Chem 102:223-32 (2015) [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:
BDBM50117670
Synonyms:
CHEMBL3613776
Type:
Small organic molecule
Emp. Form.:
C18H20N2O5S
Mol. Mass.:
376.427
SMILES:
COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(N)(=O)=O
Structure:
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