| Reaction Details |
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 | Report a problem with these data |
| Target | 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) |
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| Ligand | BDBM50465164 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1784286 (CHEMBL4255803) |
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| IC50 | 2.2±n/a nM |
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| Citation |  Ni, S; Li, B; Chen, F; Wei, H; Mao, F; Liu, Y; Xu, Y; Qiu, X; Li, X; Liu, W; Hu, L; Ling, D; Wang, M; Zheng, X; Zhu, J; Lan, L; Li, J Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant ACS Med Chem Lett9:233-237 (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) |
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| Synonyms: | 4,4'-diapophytoene desaturase | CRTN_STAAE | Dehydrosqualene desaturase | Diapophytoene desaturase | crtN |
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| Type: | PROTEIN |
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| Mol. Mass.: | 56731.85 |
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| Organism: | Staphylococcus aureus (strain Newman) |
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| Description: | ChEMBL_116799 |
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| Residue: | 502 |
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| Sequence: | MKIAVIGAGVTGLAAAARIASQGHEVTIFEKNNNVGGRMNQLKKDGFTFDMGPTIVMMPD
VYKDVFTACGKNYEDYIELRQLRYIYDVYFDHDDRITVPTDLAELQQMLESIEPGSTHGF
MSFLTDVYKKYEIARRYFLERTYRKPSDFYNMTSLVQGAKLKTLNHADQLIEHYIDNEKI
QKLLAFQTLYIGIDPKRGPSLYSIIPMIEMMFGVHFIKGGMYGMAQGLAQLNKDLGVNIE
LNAEIEQIIIDPKFKRADAIKVNGDIRKFDKILCTADFPSVAESLMPDFAPIKKYPPHKI
ADLDYSCSAFLMYIGIDIDVTDQVRLHNVIFSDDFRGNIEEIFEGRLSYDPSIYVYVPAV
ADKSLAPEGKTGIYVLMPTPELKTGSGIDWSDEALTQQIKEIIYRKLATIEVFEDIKSHI
VSETIFTPNDFEQTYHAKFGSAFGLMPTLAQSNYYRPQNVSRDYKDLYFAGASTHPGAGV
PIVLTSAKITVDEMIKDIERGV
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| BDBM50465164 |
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| n/a |
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| Name | BDBM50465164 |
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| Synonyms: | CHEMBL4288408 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H23ClF3NO2 |
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| Mol. Mass. | 425.872 |
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| SMILES | Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1 |
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| Structure | 
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