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Target
Carbapenem-hydrolyzing beta-lactamase KPC
Ligand
BDBM50277665
Substrate
n/a
Meas. Tech.
ChEMBL_2108467 (CHEMBL4817142)
IC50
670±n/a nM
Citation
 Yan, YH; Li, ZF; Ning, XL; Deng, J; Yu, JL; Luo, Y; Wang, Z; Li, G; Li, GB; Xiao, YC Discovery of 3-aryl substituted benzoxaboroles as broad-spectrum inhibitors of serine- and metallo-?-lactamases. Bioorg Med Chem Lett 41:0 (2021) [PubMed]  Article 
Target
Name:
Carbapenem-hydrolyzing beta-lactamase KPC
Synonyms:
BLKPC_KLEOX | Carbapenem-hydrolyzing beta-lactamase KPC-2 | bla | kpc | kpc2
Type:
Protein
Mol. Mass.:
31116.99
Organism:
n/a
Description:
Q848S6
Residue:
293
Sequence:
MSLYRRLVLLSCLSWPLAGFSATALTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
 
Inhibitor
Name:
BDBM50277665
Synonyms:
4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)benzonitrile | 5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole | AN-2728 | CHEMBL484785 | Crisaborole | Eucrisa
Type:
Small organic molecule
Emp. Form.:
C14H10BNO3
Mol. Mass.:
251.045
SMILES:
OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12
Structure:
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