| 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 | BDBM50602861 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2242291 (CHEMBL5156501) |
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| EC50 | 10800±n/a nM |
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| Citation |  Schneider, M; Delfosse, V; Gelin, M; Grimaldi, M; Granell, M; Heriaud, L; Pons, JL; Cohen Gonsaud, M; Balaguer, P; Bourguet, W; Labesse, G Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding. J Med Chem65:1552-1566 (2022) [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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| BDBM50602861 |
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| n/a |
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| Name | BDBM50602861 |
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| Synonyms: | CHEMBL5205492 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H27F3N6O3S2 |
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| Mol. Mass. | 628.688 |
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| SMILES | CC(=O)Nc1nccc(n1)-c1sc(nc1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1CCN(CC1)C1CC1 |
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| Structure | 
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