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Target
Carbonic anhydrase 1
Ligand
BDBM50542466
Substrate
n/a
Meas. Tech.
ChEMBL_1987138 (CHEMBL4620685)
Ki
>100000±n/a nM
Citation
 Grandane, A; Nocentini, A; Werner, T; Zalubovskis, R; Supuran, CT Benzoxepinones: A new isoform-selective class of tumor associated carbonic anhydrase inhibitors. Bioorg Med Chem 28:0 (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:
BDBM50542466
Synonyms:
CHEMBL4638037
Type:
Small organic molecule
Emp. Form.:
C13H12O4
Mol. Mass.:
232.232
SMILES:
COC(=O)C1=Cc2cc(C)ccc2OC(=O)C1 |t:4|
Structure:
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