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Target
Carbonic anhydrase 1
Ligand
BDBM50248004
Substrate
n/a
Meas. Tech.
ChEMBL_1861348 (CHEMBL4362204)
Ki
>10000±n/a nM
Citation
 Costa, G; Carta, F; Ambrosio, FA; Artese, A; Ortuso, F; Moraca, F; Rocca, R; Romeo, I; Lupia, A; Maruca, A; Bagetta, D; Catalano, R; Vullo, D; Alcaro, S; Supuran, CT A computer-assisted discovery of novel potential anti-obesity compounds as selective carbonic anhydrase VA inhibitors. Eur J Med Chem 181:0 (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:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50248004
Synonyms:
CHEBI:63599 | Fludara | Fludarabine | Fludarabine Phosphate | Oforta
Type:
Small organic molecule
Emp. Form.:
C10H13FN5O7P
Mol. Mass.:
365.2117
SMILES:
Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O |r|
Structure:
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