Reaction Details |
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Target | 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) |
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Ligand | BDBM50247168 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1677666 (CHEMBL4027809) |
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IC50 | 1.8±n/a nM |
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Citation | Li, B; Ni, S; Mao, F; Chen, F; Liu, Y; Wei, H; Chen, W; Zhu, J; Lan, L; Li, J Novel Terminal Bipheny-Based Diapophytoene Desaturases (CrtN) Inhibitors as Anti-MRSA/VISR/LRSA Agents with Reduced hERG Activity. J Med Chem61:224-250 (2018) [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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BDBM50247168 |
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n/a |
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Name | BDBM50247168 |
Synonyms: | CHEMBL4086008 |
Type | Small organic molecule |
Emp. Form. | C25H24ClNO |
Mol. Mass. | 389.917 |
SMILES | Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12 |
Structure |
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