Reaction Details Report a problem with these data
Target
Carbapenem-hydrolyzing beta-lactamase KPC
Ligand
BDBM50089084
Substrate
n/a
Meas. Tech.
ChEMBL_1984272 (CHEMBL4617678)
Ki
56±n/a nM
Citation
 Hecker, SJ; Reddy, KR; Lomovskaya, O; Griffith, DC; Rubio-Aparicio, D; Nelson, K; Tsivkovski, R; Sun, D; Sabet, M; Tarazi, Z; Parkinson, J; Totrov, M; Boyer, SH; Glinka, TW; Pemberton, OA; Chen, Y; Dudley, MN Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-?-lactamases. J Med Chem 63:7491-7507 (2020) [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:
BDBM50089084
Synonyms:
CHEMBL3317857 | Vaborbactam
Type:
Small organic molecule
Emp. Form.:
C12H16BNO5S
Mol. Mass.:
297.135
SMILES:
OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r|
Structure:
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