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Target
Carbonic anhydrase 1
Ligand
BDBM50066001
Substrate
n/a
Meas. Tech.
ChEMBL_1464737 (CHEMBL3407088)
Ki
>10000±n/a nM
Citation
 Mojzych, M; Karczmarzyk, Z; Wysocki, W; Ceruso, M; Supuran, CT; Kry?tof, V; Urbanczyk-Lipkowska, Z; Kalicki, P New approaches to the synthesis of sildenafil analogues and their enzyme inhibitory activity. Bioorg Med Chem 23:1421-9 (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:
BDBM50066001
Synonyms:
CHEMBL3261391
Type:
Small organic molecule
Emp. Form.:
C18H22N6O3S
Mol. Mass.:
402.471
SMILES:
CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCC1
Structure:
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