Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50279677
Substrate
n/a
Meas. Tech.
ChEMBL_1721406 (CHEMBL4136406)
Ki
79±n/a nM
Citation
 Nocentini, A; Cadoni, R; Del Prete, S; Capasso, C; Dumy, P; Gratteri, P; Supuran, CT; Winum, JY Benzoxaboroles as Efficient Inhibitors of the ?-Carbonic Anhydrases from Pathogenic Fungi: Activity and Modeling Study. ACS Med Chem Lett 8:1194-1198 (2017) [PubMed]  Article 
Target
Name:
Carbonic anhydrase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
24709.64
Organism:
Candida glabrata
Description:
ChEMBL_584597
Residue:
219
Sequence:
MTKDTIFTLTGKCALDNILDANRQWAQAMHRSQPQLFPTNGQGQDPHTLFIGCSDSRYNEDCLGVLPGEIFTLKTVANICHTDDHSLLATLEFAILNLKVNRIILCGHTDCGGIKTCLLGRESIKESCPHLYEHLDDIEDLVESHESELNQLDNICSKSKLMSHRNVERQLQRLLQIPVVQDALRNSNQDHEFNIFGLVYNVDSGLVDVVREVYGNQQK
  
Inhibitor
Name:
BDBM50279677
Synonyms:
CHEMBL4170654
Type:
Small organic molecule
Emp. Form.:
C16H16BClN2O3
Mol. Mass.:
330.574
SMILES:
Cc1cc(Cl)cc(CNC(=O)Nc2ccc3COB(O)c3c2)c1
Structure:
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