Reaction Details Report a problem with these data
Target
Carbapenem-hydrolyzing beta-lactamase KPC
Ligand
BDBM50569702
Substrate
n/a
Meas. Tech.
ChEMBL_2109934 (CHEMBL4818609)
Ki
3690±n/a nM
Citation
 Romero, E; Oueslati, S; Benchekroun, M; D'Hollander, ACA; Ventre, S; Vijayakumar, K; Minard, C; Exilie, C; Tlili, L; Retailleau, P; Zavala, A; Elisée, E; Selwa, E; Nguyen, LA; Pruvost, A; Naas, T; Iorga, BI; Dodd, RH; Cariou, K Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of ?-lactamases with submicromolar activities against carbapenemases KPC-2 (class A), NDM-1 (class B) and OXA-48 (class D). Eur J Med Chem 219:0 (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:
BDBM50569702
Synonyms:
CHEMBL4864325
Type:
Small organic molecule
Emp. Form.:
C28H21Cl2IN2O
Mol. Mass.:
599.29
SMILES:
Clc1ccc(C2C\C(=N/c3ccc(I)cc3)N2c2ccc(OCc3ccccc3)cc2)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: