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Target
Carbonic anhydrase 1
Ligand
BDBM50502608
Substrate
n/a
Meas. Tech.
ChEMBL_1808122 (CHEMBL4307481)
Ki
3212±n/a nM
Citation
 Larcher, A; Nocentini, A; Supuran, CT; Winum, JY; van der Lee, A; Vasseur, JJ; Laurencin, D; Smietana, M Bis-benzoxaboroles: Design, Synthesis, and Biological Evaluation as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett 10:1205-1210 (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:
BDBM50502608
Synonyms:
CHEMBL4520305
Type:
Small organic molecule
Emp. Form.:
C18H16B2N2O6
Mol. Mass.:
377.951
SMILES:
OB1OCc2ccc(NC(=O)\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12
Structure:
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