Reaction Details |
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Target | Nuclear receptor subfamily 1 group I member 2 |
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Ligand | BDBM50602855 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2242291 (CHEMBL5156501) |
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EC50 | 2280±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 |
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 |
Type: | Nuclear receptor |
Mol. Mass.: | 49774.77 |
Organism: | Homo sapiens (Human) |
Description: | O75469 |
Residue: | 434 |
Sequence: | MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATGYHFNVMTCEG
CKGFFRRAMKRNARLRCPFRKGACEITRKTRRQCQACRLRKCLESGMKKEMIMSDEAVEE
RRALIKRKKSERTGTQPLGVQGLTEEQRMMIRELMDAQMKTFDTTFSHFKNFRLPGVLSS
GCELPESLQAPSREEAAKWSQVRKDLCSLKVSLQLRGEDGSVWNYKPPADSGGKEIFSLL
PHMADMSTYMFKGIISFAKVISYFRDLPIEDQISLLKGAAFELCQLRFNTVFNAETGTWE
CGRLSYCLEDTAGGFQQLLLEPMLKFHYMLKKLQLHEEEYVLMQAISLFSPDRPGVLQHR
VVDQLQEQFAITLKSYIECNRPQPAHRFLFLKIMAMLTELRSINAQHTQRLLRIQDIHPF
ATPLMQELFGITGS
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BDBM50602855 |
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n/a |
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Name | BDBM50602855 |
Synonyms: | CHEMBL5176494 |
Type | Small organic molecule |
Emp. Form. | C23H18ClF3N6O3S2 |
Mol. Mass. | 583.006 |
SMILES | Nc1nccc(n1)-c1sc(nc1-c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1F)C1COCCN1 |
Structure |
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