Reaction Details Report a problem with these data
Target
OXA23 carbapenemase
Ligand
BDBM50089084
Substrate
n/a
Meas. Tech.
ChEMBL_1984280 (CHEMBL4617686)
Ki
>40000±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:
OXA23 carbapenemase
Synonyms:
A9843_09540 | AB719_18095 | ABC003_03708 | ABUW_0563 | AZE33_05050 | AZE33_05100 | AZE33_05150 | AZE33_05250 | B4N88_05195 | B4N90_16810 | B4O95_06245 | B4Q05_10505 | B9W69_20755 | Beta-lactamase OXA-23 | Beta-lactamase oxa23 | BlaOXA-23 | C7G90_19950 | CAS83_19595 | CBE85_20255 | CBI29_04474 | CEJ63_03230 | CEJ64_15465 | CKN52_19575 | CTI08_20085 | CUC59_19845 | CUC60_19795 | CUC61_19825 | CUC62_19870 | Carbapenemase OXA-23 | D3X42_20145 | DLI67_05170 | DLI69_03400 | DLI75_05265 | DLI75_16925 | DV997_16620 | DVA69_16975 | DVA79_19285 | DWA21_25185 | E2533_00255 | E2535_00255 | E2538_00225 | E2540_01480 | E4664_15685 | EA677_15340 | EA686_06705 | EGM95_08810 | EJB02_18290 | F8B16_18845 | FD887_20545 | FD913_21120 | FDF20_00180 | FDO31_20925 | FGL68_16065 | FJU36_20505 | G3N45_19825 | GNY86_20740 | HWQ22_07320 | HYI42_07265 | IX87_16825 | IX87_21860 | LV38_03424 | NCTC13421_03368 | NCTC13421_03411 | NG19_0098 | OXA-23 | OXA-23 carbapenemase | OXA-23 class D beta-lactamase | OXA23 carbapenemase | SAMEA104305208_04008 | SAMEA104305229_06308 | SAMEA104305242_04084 | SAMEA104305268_03570 | SAMEA104305271_04290 | SAMEA104305299_06196 | SAMEA104305318_04148 | SAMEA104305320_04271 | SAMEA104305325_04185 | SAMEA104305341_03854 | SAMEA104305343_03919 | SAMEA104305351_03822 | SAMEA104305385_00775 | Synonyms=bla(OXA-23) | ari-1 | bla-oxa-23 | blaOXA | blaOXA23 | bla_1 | bla_2 | bla_3 | class D Beta-lactamase Oxa-23 | oxa23
Type:
PROTEIN
Mol. Mass.:
30981.53
Organism:
Acinetobacter baumannii
Description:
ChEMBL_117207
Residue:
273
Sequence:
MNKYFTCYVVASLFLSGCTVQHNLINETPSQIVQGHNQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKTDINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMRSEMPASIRNELLMKSLKQLNII
  
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:
Search PDB for entries with ligand similarity: