Ki Summary

Reaction Details

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Target

Beta-lactamase

Ligand

BDBM50071058

Substrate/Competitor

n/a

IC50

38137±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]

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Beta-lactamase

Name:

Beta-lactamase

Synonyms:

Beta lactamase

Type:

Enzyme Catalytic Domain

Mol. Mass.:

31513.38

Organism:

Pseudomonas aeruginosa

Description:

gi_114881106

Residue:

286

Sequence:

MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW

BDBM50071058

n/a

Name

BDBM50071058

Synonyms:

(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-picene-2-carboxylic acid | CELASTROL | CHEMBL301982 | cid_4274774

Type

Small organic molecule

Emp. Form.

C29H38O4

Mol. Mass.

450.6096

SMILES

C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|

Structure