Reaction Details Report a problem with these data
Target
Carbapenem-hydrolyzing beta-lactamase KPC
Ligand
BDBM50541450
Substrate
n/a
Meas. Tech.
ChEMBL_1984272 (CHEMBL4617678)
Ki
150±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:
BDBM50541450
Synonyms:
CHEMBL4640702
Type:
Small organic molecule
Emp. Form.:
C11H9BN2O4S2
Mol. Mass.:
308.141
SMILES:
OB1Oc2c(C[C@@H]1Sc1nncs1)cccc2C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: