| Reaction Details |
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 | Report a problem with these data |
| Target | Nuclear receptor subfamily 1 group I member 2 |
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| Ligand | BDBM50355759 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_776383 (CHEMBL1914234) |
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| EC50 | 2100±n/a nM |
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| Citation |  Jin, Y; Gill, SK; Kirchhoff, PD; Wan, B; Franzblau, SG; Garcia, GA; Showalter, HD Synthesis and structure-activity relationships of novel substituted 8-amino, 8-thio, and 1,8-pyrazole congeners of antitubercular rifamycin S and rifampin. Bioorg Med Chem Lett21:6094-9 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Nuclear receptor subfamily 1 group I member 2 |
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| Name: | Nuclear receptor subfamily 1 group I member 2 |
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| Synonyms: | NR1I2 | NR1I2_HUMAN | Orphan nuclear receptor PAR1 | Orphan nuclear receptor PXR | PXR | Pregnane X receptor | SXR | Steroid and xenobiotic receptor | nuclear receptor subfamily 1 group I member 2 isoform 1 |
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| Type: | Nuclear receptor |
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| Mol. Mass.: | 49774.77 |
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| Organism: | Homo sapiens (Human) |
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| Description: | O75469 |
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| Residue: | 434 |
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| Sequence: | MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEG
CKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEE
RRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSS
GCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLL
PHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWE
CGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHR
VVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPF
ATPLMQELFGITGS
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| BDBM50355759 |
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| n/a |
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| Name | BDBM50355759 |
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| Synonyms: | CHEMBL1911299 |
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| Type | Small organic molecule |
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| Emp. Form. | C44H59N5O11 |
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| Mol. Mass. | 833.9662 |
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| SMILES | CNc1c(C)c2O[C@]3(C)O\C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)/C(=O)NC4=C(\C=N\N5CCN(C)CC5)C(=O)c(c2C3=O)c1C4=O |r,c:40,t:10,32,34| |
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| Structure | 
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