Ki Summary

Reaction Details

Report a problem with these data

Target

4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)

Ligand

BDBM50187727

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1589615 (CHEMBL3829384)

IC50

1.3±n/a nM

Citation

Wang, Y; Di, H; Chen, F; Xu, Y; Xiao, Q; Wang, X; Wei, H; Lu, Y; Zhang, L; Zhu, J; Lan, L; Li, J Discovery of Benzocycloalkane Derivatives Efficiently Blocking Bacterial Virulence for the Treatment of Methicillin-Resistant S. aureus (MRSA) Infections by Targeting Diapophytoene Desaturase (CrtN). J Med Chem59:4831-48 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)

Name:

4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)

Synonyms:

4,4'-diapophytoene desaturase | CRTN_STAAE | Dehydrosqualene desaturase | Diapophytoene desaturase | crtN

Type:

PROTEIN

Mol. Mass.:

56731.85

Organism:

Staphylococcus aureus (strain Newman)

Description:

ChEMBL_116799

Residue:

502

Sequence:

MKIAVIGAGVTGLAAAARIASQGHEVTIFEKNNNVGGRMNQLKKDGFTFDMGPTIVMMPD
VYKDVFTACGKNYEDYIELRQLRYIYDVYFDHDDRITVPTDLAELQQMLESIEPGSTHGF
MSFLTDVYKKYEIARRYFLERTYRKPSDFYNMTSLVQGAKLKTLNHADQLIEHYIDNEKI
QKLLAFQTLYIGIDPKRGPSLYSIIPMIEMMFGVHFIKGGMYGMAQGLAQLNKDLGVNIE
LNAEIEQIIIDPKFKRADAIKVNGDIRKFDKILCTADFPSVAESLMPDFAPIKKYPPHKI
ADLDYSCSAFLMYIGIDIDVTDQVRLHNVIFSDDFRGNIEEIFEGRLSYDPSIYVYVPAV
ADKSLAPEGKTGIYVLMPTPELKTGSGIDWSDEALTQQIKEIIYRKLATIEVFEDIKSHI
VSETIFTPNDFEQTYHAKFGSAFGLMPTLAQSNYYRPQNVSRDYKDLYFAGASTHPGAGV
PIVLTSAKITVDEMIKDIERGV

BDBM50187727

n/a

Name

BDBM50187727

Synonyms:

CHEMBL3827744

Type

Small organic molecule

Emp. Form.

C21H25BrClN

Mol. Mass.

406.787

SMILES

Cl.CN(C\C=C\c1ccc(Br)cc1)Cc1ccc2CCCCc2c1

Structure