Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM93535
Substrate
n/a
IC50
18758±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of the interaction of nucleotide-binding oligomerization domain containing 2 (NOD2) and receptor-interacting serine-threonine kinase 2 (RIPK2) PubChem Bioassay (2012)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta lactamase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31513.38
Organism:
Pseudomonas aeruginosa
Description:
gi_114881106
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM93535
Synonyms:
(6aR,11aS)-6-amyl-9-chloro-5-keto-3-methoxy-6a,11-dihydroinden[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester | (6aR,11aS)-9-chloro-3-methoxy-5-oxo-6-pentyl-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylic acid ethyl ester | MLS003591328 | SMR002252627 | cid_53301252 | ethyl (6aR,11aS)-9-chloranyl-3-methoxy-5-oxidanylidene-6-pentyl-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate | ethyl (6aR,11aS)-9-chloro-3-methoxy-5-oxo-6-pentyl-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
Type:
Small organic molecule
Emp. Form.:
C25H28ClNO4
Mol. Mass.:
441.947
SMILES:
CCCCCN1[C@@H]2c3ccc(Cl)cc3C[C@]2(C(=O)OCC)c2ccc(OC)cc2C1=O
Structure:
Search PDB for entries with ligand similarity: