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Target
Carbonic anhydrase 1
Ligand
BDBM50519438
Substrate
n/a
Meas. Tech.
ChEMBL_1875316 (CHEMBL4376605)
Ki
60000±n/a nM
Citation
 Tanini, D; Capperucci, A; Ferraroni, M; Carta, F; Angeli, A; Supuran, CT Direct and straightforward access to substituted alkyl selenols as novel carbonic anhydrase inhibitors. Eur J Med Chem 185:0 (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:
BDBM50519438
Synonyms:
CHEMBL4530196
Type:
Small organic molecule
Emp. Form.:
C6H12OSSe
Mol. Mass.:
211.18
SMILES:
[#16]-[#6](-[#6][Se;v2])-[#6]-[#8]-[#6]-[#6]=[#6]
Structure:
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