Reaction Details |
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Target | 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) |
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Ligand | BDBM50187723 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1589615 (CHEMBL3829384) |
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IC50 | 4.1±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) |
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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
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BDBM50187723 |
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n/a |
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Name | BDBM50187723 |
Synonyms: | CHEMBL3827961 |
Type | Small organic molecule |
Emp. Form. | C23H30ClNO |
Mol. Mass. | 371.943 |
SMILES | Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1 |
Structure |
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