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Target
Carbonic anhydrase 1
Ligand
BDBM50555724
Substrate
n/a
Meas. Tech.
ChEMBL_2053444 (CHEMBL4708445)
Ki
52±n/a nM
Citation
 Ceni, C; Catarzi, D; Varano, F; Ben, DD; Marucci, G; Buccioni, M; Volpini, R; Angeli, A; Nocentini, A; Gratteri, P; Supuran, CT; Colotta, V Discovery of first-in-class multi-target adenosine A Eur J Med Chem 201:0 (2020) [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:
BDBM50555724
Synonyms:
CHEMBL4761976
Type:
Small organic molecule
Emp. Form.:
C27H24N8O5S
Mol. Mass.:
572.595
SMILES:
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Structure:
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