Reaction Details
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Target
Beta-lactamase
Ligand
BDBM50191381
Substrate
n/a
Meas. Tech.
ChEMBL_365445 (CHEMBL869112)
IC50
15±n/a nM
Citation
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More Info.:
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ENTCL | ampC
Type:
PROTEIN
Mol. Mass.:
41306.67
Organism:
Enterobacter cloacae
Description:
ChEMBL_40258
Residue:
381
Sequence:
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQWQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARVEAAYHILEALQ
Inhibitor
Name:
BDBM50191381
Synonyms:
(5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL378041
Type:
Small organic molecule
Emp. Form.:
C22H19N2O4S2
Mol. Mass.:
439.528
SMILES:
COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|