| Reaction Details |
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 | Report a problem with these data |
| Target | Bile acid receptor |
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| Ligand | BDBM21725 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_320795 (CHEMBL884750) |
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| Ki | >5000±n/a nM |
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| Citation |  Meyer, U; Costantino, G; Macchiarulo, A; Pellicciari, R Is antagonism of E/Z-guggulsterone at the farnesoid X receptor mediated by a noncanonical binding site? A molecular modeling study. J Med Chem48:6948-55 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bile acid receptor |
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| Name: | Bile acid receptor |
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| Synonyms: | BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor |
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| Type: | Nuclear Receptor |
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| Mol. Mass.: | 55916.24 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96RI1 |
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| Residue: | 486 |
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| Sequence: | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYS
NVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTK
KPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCV
MDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEG
RDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLI
LTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSD
LLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEK
LQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLC
EIWDVQ
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| BDBM21725 |
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| n/a |
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| Name | BDBM21725 |
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| Synonyms: | (1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,13-dione | Guggulsterone |
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| Type | Steroid |
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| Emp. Form. | C21H28O2 |
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| Mol. Mass. | 312.4458 |
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| SMILES | [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20| |
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| Structure | 
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